SCHEMBL4243270

SCHEMBL4243270

CN(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRL1 P41146 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
IDO1 P14902 2/20 0.53
CETP P11597 4/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A3 Q01959 1/20 0.51
ACP3 P15309 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ADRA2C P18825 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8390076 0.98 IDO1 (0.54) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL13084204 0.85 HTR2A (0.53) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL12124996 0.84 HTR2A (0.51) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL4238520 0.84 MEN1 (0.63) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL15432489 0.84 HTR2A (0.51) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL4678470 0.82 CYP2C19 (0.52) OPRM1OPRL1TAAR1LMNAALDH1A1
SCHEMBL14438325 0.82 HTR2A (0.58) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL4244205 0.81 MEN1 (0.60) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL169714 0.81 TAAR1 (0.61) HTR2AHTR2BHTR2CMEN1KMT2A
SCHEMBL4246775 0.81 SLC6A2 (0.53) HTR2AHTR2BHTR2CMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
WO-2019136368-A2 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-07-11 WO disclosed
WO-2019060820-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2019-03-28 WO disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
WO-2011030798-A1 8-OXODIHYDROPURINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-03-17 WO disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
EP-1871357-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE Inflazyme Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
WO-2006108149-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAZYME PHARMACEUTICALS LTD. (CA) 2006-10-12 WO disclosed
EP-0358305-B1 MERCAPTO-PHENYLALCANOYLAMINO ACID AMIDES, THEIR PREPARATION AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1993-08-25 EP disclosed
US-5124322-A Antiarthritic agents BEECHAM GROUP P.L.C. (GB) 1992-06-23 US disclosed
EP-0358305-A1 Mercapto-phenylalcanoylamino acid amides, their preparation and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1990-03-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC HTR2A 2923/4885HTR2B 3048/4885HTR2C 3076/4885
US-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 HTR2A 1055/4885HTR2B 1807/4885HTR2C 1424/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 HTR2A 1553/4885HTR2B 628/4885HTR2C 579/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 HTR2A 36/4885HTR2B 44/4885HTR2C 31/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC HTR2A 2923/4885HTR2B 3048/4885HTR2C 3076/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC HTR2A 2923/4885HTR2B 3048/4885HTR2C 3076/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC HTR2A 2923/4885HTR2B 3048/4885HTR2C 3076/4885
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 HTR2A 192/4885HTR2B 311/4885HTR2C 187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.