SCHEMBL4506008

SCHEMBL4506008

Cc1nc(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MCL1 Q07820 1/20 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
SCHEMBL4504091 0.88 TSHR (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4501310 0.86 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4509768 0.85 L3MBTL1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4509039 0.85 L3MBTL1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4504685 0.85 L3MBTL1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4507874 0.85 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4506180 0.84 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4492151 0.84 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4495290 0.84 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4495425 0.84 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR

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 L3MBTL1 4045/4885NPC1 1982/4885RAB9A 1373/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E L3MBTL1 4103/4885NPC1 1318/4885RAB9A 1765/4885

“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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