SCHEMBL9947017

SCHEMBL9947017

CC(c1ccccn1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 1/20 0.42
KCNA5 P22460 6/20 0.42
KCNH2 Q12809 1/20 0.42
KCNE1 P15382 2/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CHRM2 P08172 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NR1I2 O75469 1/20 0.38
CXCR4 P61073 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL22275768 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12346333 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12725114 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5960481 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5960502 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL24875756 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12915400 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21760517 0.78 KCNA5 (0.44) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21742077 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21132105 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240730-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS Aligos Therapeutics, Inc. (US) 2023-09-13 EP disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed
WO-2022099044-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 WO disclosed
WO-2017132019-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US 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 (2 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES SLC6A2 4659/4885SLC6A4 4723/4885SLC6A3 4784/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 SLC6A2 192/4885SLC6A4 378/4885SLC6A3 461/4885

“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.