SCHEMBL18252826

SCHEMBL18252826

Cc1cc(CNC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2A P28223 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ TMEM97 Q5BJF2 3/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ IDH1 O75874 1/20 0.36

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
SCHEMBL14569541 0.89 IDO1 (0.47) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL16729555 0.85 ALDH1A1 (0.45) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL14438263 0.83 CYP3A4 (0.43) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL12765145 0.82 NOS1 (0.43) HTR2ASLC6A4TACR1IDO1RAPGEF4
SCHEMBL24229573 0.81 ALDH1A1 (0.41) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL18252812 0.81 KCNH2 (0.44) ALDH1A1HTR2AHTR2BSIGMAR1LMNA
SCHEMBL12312589 0.81 ALDH1A1 (0.40) ALDH1A1SIGMAR1TACR1
SCHEMBL19443084 0.80 RAPGEF4 (0.41) HTR2ASLC6A4TACR1IDO1RAPGEF4
SCHEMBL13461889 0.80 TACR1 (0.50) MAPTTACR1IDO1RAPGEF4NOS3
Hydrochloric Acid SCHEMBL1000492 0.80 ALDH1A1 (0.40) ALDH1A1HTR2AHTR2BSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 — — US disclosed
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 — — US disclosed
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CHEMOCENTRYX, INC. (US) 2021-10-26 — — US disclosed
US-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-11 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 — — US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 — — 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 (6 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-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 ALDH1A1 3105/4885HTR2A 917/4885HTR2B 1773/4885
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CCR2, CXCR2, CCRL2 ALDH1A1 3105/4885HTR2A 917/4885HTR2B 1773/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 ALDH1A1 1316/4885HTR2A 348/4885HTR2B 476/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS ALDH1A1 2065/4885HTR2A 4740/4885HTR2B 4572/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 ALDH1A1 1295/4885HTR2A 1028/4885HTR2B 1799/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 ALDH1A1 1533/4885HTR2A 835/4885HTR2B 597/4885

“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.

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