SCHEMBL4498913

SCHEMBL4498913

Cc1nc(N2CCOCC2)nc(-c2cc(Cl)cc(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ NAPEPLD Q6IQ20 5/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PIK3CA P42336 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
SCHEMBL4513688 0.84 L3MBTL1 (0.46) LMNATHRBTP53L3MBTL1TSHR
SCHEMBL4504091 0.83 TSHR (0.52) LMNAL3MBTL1TSHRTAAR1KDM4E
SCHEMBL4498278 0.83 USP28 (0.48) LMNATP53L3MBTL1TSHRTAAR1
SCHEMBL4509896 0.81 TAAR1 (0.47) LMNATP53L3MBTL1TSHRTAAR1
SCHEMBL4493551 0.81 TAAR1 (0.47) LMNATP53L3MBTL1TSHRTAAR1
SCHEMBL4501310 0.81 L3MBTL1 (0.53) LMNAL3MBTL1TSHRTAAR1KDM4E
SCHEMBL4509039 0.81 L3MBTL1 (0.49) LMNAL3MBTL1TSHRTAAR1KDM4E
SCHEMBL4504685 0.81 L3MBTL1 (0.49) LMNAL3MBTL1TSHRTAAR1KDM4E
SCHEMBL4509768 0.81 L3MBTL1 (0.49) LMNAL3MBTL1TSHRTAAR1KDM4E
SCHEMBL4506712 0.80 L3MBTL1 (0.47) LMNAL3MBTL1TSHRTAAR1KDM4E

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 LMNA 3830/4885THRB 2217/4885TP53 3199/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E LMNA 4114/4885THRB 2472/4885TP53 3456/4885

“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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