SCHEMBL4491282

SCHEMBL4491282

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ AVPR1B P47901 3/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4491278 0.85 HRH3 (0.46) L3MBTL1AVPR1BMEN1KMT2AMCHR1
SCHEMBL4513688 0.84 L3MBTL1 (0.46) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4502696 0.83 L3MBTL1 (0.49) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4502879 0.80 L3MBTL1 (0.53) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4503077 0.79 L3MBTL1 (0.52) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4498278 0.78 USP28 (0.48) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4494247 0.77 L3MBTL1 (0.50) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL13936927 0.77 L3MBTL1 (0.46) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4507884 0.77 L3MBTL1 (0.49) L3MBTL1TSHRMAPTALDH1A1LMNA
SCHEMBL4504304 0.75 L3MBTL1 (0.47) L3MBTL1TSHRMAPTALDH1A1LMNA

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 4 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-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
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 (1 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 4045/4885TSHR 4176/4885MAPT 2326/4885

“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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