SCHEMBL4513688

SCHEMBL4513688

Cc1nc(N2CCCCC2)nc(-c2cccc(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 4/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4498278 0.91 USP28 (0.48) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL4502879 0.85 L3MBTL1 (0.53) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL4503077 0.84 L3MBTL1 (0.52) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL4498913 0.84 LMNA (0.49) L3MBTL1TAAR1MAPTLMNATHRB
SCHEMBL4491278 0.84 HRH3 (0.46) L3MBTL1MCHR1HTR2AHTR2CSLC6A4
SCHEMBL4491282 0.84 L3MBTL1 (0.45) L3MBTL1TAAR1MCHR1MAPTLMNA
SCHEMBL4494247 0.83 L3MBTL1 (0.50) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL4507884 0.82 L3MBTL1 (0.49) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL4502696 0.82 L3MBTL1 (0.49) L3MBTL1TAAR1MAPTLMNATSHR
SCHEMBL13936927 0.79 L3MBTL1 (0.46) L3MBTL1TAAR1MAPTLMNATSHR

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 4045/4885TAAR1 1541/4885MCHR1 4110/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E L3MBTL1 4103/4885TAAR1 1491/4885MCHR1 4069/4885

“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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