SCHEMBL4774263

SCHEMBL4774263

COc1ccc2c(n1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
CYP3A4 P08684 1/20 0.41
CDK4 P11802 1/20 0.39
FLT3 P36888 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
PNMT P11086 4/20 0.38
DRD1 P21728 1/20 0.38
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL29730608 0.88 DRD2 (0.43) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL4009744 0.88 DRD2 (0.43) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL21326114 0.86 HTR2C (0.42) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL30101490 0.84 HTR2C (0.41) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL2904220 0.82 MLNR (0.39) CYP3A4CDK4HTR2CPNMTCD44
SCHEMBL13090252 0.82 CYP3A4 (0.38) CYP3A4HTR2CHTR2BHTR2APNMT
Hydrochloric Acid SCHEMBL2910834 0.81 CHRM2 (0.38) CYP3A4CDK4HTR2CPNMTCD44
Hydrochloric Acid SCHEMBL2907597 0.81 CYP3A4 (0.38) CYP3A4HTR2CHTR2BHTR2APNMT
SCHEMBL29222780 0.80 PNMT (0.38) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL18981770 0.79 PDE2A (0.41) HTR2CHTR2BHTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-02-27 US disclosed
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2024-09-10 US disclosed
US-20220306672-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2022-09-29 US disclosed
WO-2017106818-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2017-06-22 WO disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R DRD2 1060/4885DRD3 1393/4885CYP3A4 448/4885
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, FFAR3 DRD2 1324/4885DRD3 1301/4885CYP3A4 580/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H DRD2 935/4885DRD3 402/4885CYP3A4 1365/4885
US-20220306672-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R DRD2 1060/4885DRD3 1393/4885CYP3A4 448/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 DRD2 2082/4885DRD3 901/4885CYP3A4 64/4885
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R DRD2 1060/4885DRD3 1393/4885CYP3A4 448/4885

“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.