SCHEMBL4498922

SCHEMBL4498922

Cc1nc(C)c(C(=O)NCCCCc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ TEAD2 Q15562 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ MAPT P10636 3/20 0.42

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 0.97 NPC1 (0.50) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4498607 0.93 TAAR1 (0.55) TAAR1TEAD2L3MBTL1NPC1RAB9A
SCHEMBL4502805 0.90 L3MBTL1 (0.48) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4510156 0.89 TAAR1 (0.47) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4498929 0.88 NPC1 (0.49) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4502879 0.87 L3MBTL1 (0.53) TAAR1POLBL3MBTL1NPC1RAB9A
SCHEMBL4491438 0.86 L3MBTL1 (0.48) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4508339 0.85 L3MBTL1 (0.47) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4504192 0.85 L3MBTL1 (0.47) TAAR1POLBTEAD2L3MBTL1NPC1
SCHEMBL4506315 0.85 PTAFR (0.52) TAAR1L3MBTL1ASAH1

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 TAAR1 1541/4885POLB 3158/4885TEAD2 1390/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E TAAR1 1491/4885POLB 3312/4885TEAD2 1752/4885

“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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