SCHEMBL21155902

SCHEMBL21155902

Oc1ccc2c(n1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
PNMT P11086 5/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL31621599 1.00 CYP3A4 (0.44) CYP3A4PNMTCD44MAOBHTR2C
SCHEMBL4203505 0.86 ADCY6 (0.43) HTR2CDRD2
Bromide SCHEMBL4016134 0.85 ADCY6 (0.42) HTR2CDRD2
SCHEMBL21041640 0.85 HTR2C (0.45) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL16220610 0.78 CYP3A4 (0.45) CYP3A4PNMTCD44MAOBHTR2C
SCHEMBL23561744 0.78 PNMT (0.41) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL12696301 0.77 CYP3A4 (0.44) CYP3A4PNMTCD44MAOBHTR2C
SCHEMBL23388029 0.77 CYP3A4 (0.44) CYP3A4PNMTCD44MAOBHTR2C
SCHEMBL16380135 0.77 PNMT (0.47) CYP3A4PNMTCD44MAOBHTR2C
SCHEMBL868598 0.77 PNMT (0.47) CYP3A4PNMTCD44MAOBHTR2C

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-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
WO-2025101738-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2025-05-15 WO 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
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-03 US disclosed
CN-106795118-B Heterocyclic compound and their purposes as relevant orphan receptor (ROR) the GAMMA-T inhibitor of retinoids 武田药品工业株式会社 2019-10-08 CN disclosed
WO-2019135920-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-07-11 WO 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 (5 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 CYP3A4 448/4885PNMT 1139/4885CD44 4852/4885
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, FFAR3 CYP3A4 580/4885PNMT 2080/4885CD44 4802/4885
US-20220306672-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R CYP3A4 448/4885PNMT 1139/4885CD44 4852/4885
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF SLC11A2, MMP12, LCT CYP3A4 1178/4885PNMT 2883/4885CD44 1921/4885
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R CYP3A4 448/4885PNMT 1139/4885CD44 4852/4885

“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.