SCHEMBL4498929

SCHEMBL4498929

Cc1nc(N)nc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ TEAD2 Q15562 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL4515318 0.91 NPC1 (0.50) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4491438 0.88 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4498922 0.88 TAAR1 (0.49) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4508339 0.87 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4504192 0.87 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4502805 0.86 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4510156 0.85 TAAR1 (0.47) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4514542 0.85 NPC1 (0.50) NPC1RAB9AL3MBTL1TSHRTAAR1
SCHEMBL4498607 0.85 TAAR1 (0.55) NPC1RAB9AL3MBTL1TAAR1TEAD2
SCHEMBL4504537 0.84 EPHX2 (0.50) NPC1RAB9AL3MBTL1TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 — — US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 — — 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 (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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E NPC1 1982/4885RAB9A 1373/4885L3MBTL1 4045/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E NPC1 1318/4885RAB9A 1765/4885L3MBTL1 4103/4885

“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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