SCHEMBL14838875

SCHEMBL14838875

Cc1cc2[nH]c(C3CCCCN3)nc2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.52
▸ CDC7 O00311 7/20 0.45
▸ CCNE1 P24864 7/20 0.45
▸ CDK2 P24941 7/20 0.45
▸ ROCK1 Q13464 7/20 0.45
▸ DBF4 Q9UBU7 7/20 0.45
▸ CCNC P24863 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ CLK1 P49759 2/20 0.45
▸ DAPK1 P53355 2/20 0.45
▸ DMPK Q09013 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ HIPK4 Q8NE63 2/20 0.45
▸ DYRK1B Q9Y463 2/20 0.45
▸ CDK3 Q00526 1/20 0.45
▸ PARP1 P09874 3/20 0.41
▸ HCRTR1 O43613 6/20 0.41
▸ HCRTR2 O43614 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL14447537 0.77 KCNH2 (0.48) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL8273965 0.74 SCN10A (0.55) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL19488467 0.74 SCN10A (0.59) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL12684295 0.74 SCN10A (0.59) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL15585670 0.74 SCN10A (0.70) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL15746270 0.74 SCN10A (0.70) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL15844574 0.73 SCN10A (0.58) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL15844575 0.73 SCN10A (0.58) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL13350394 0.73 SCN10A (0.51) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL15585625 0.73 SCN10A (0.61) SCN10ACDC7CCNE1CDK2ROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 — — US disclosed
US-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 — — US disclosed
EP-2844648-B1 BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST MERCK PATENT GMBH (DE) 2016-11-09 — — EP disclosed
US-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist MERCK PATENT GMBH (DE) 2015-01-08 — — US disclosed
US-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist MERCK PATENT GMBH (DE) 2015-01-08 — — US disclosed
WO-2013045028-A9 BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST MERCK PATENT GMBH (DE) 2014-12-24 — — WO disclosed
WO-2013045028-A1 BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST MERCK PATENT GMBH (DE) 2013-04-04 — — WO 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-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist LPAR1, LPAR2, LPAR5 SCN10A 2702/4885CDC7 3510/4885CCNE1 2211/4885

“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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