SCHEMBL16343124

SCHEMBL16343124

Cc1ccc(CN2CCCCC2c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.40
HCRTR1 O43613 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
AKR1C3 P42330 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 1/20 0.38
CFB P00751 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL16343134 1.00 DRD2 (0.45) DRD2DRD3DRD4HRH3MAPT
SCHEMBL16343236 1.00 DRD2 (0.45) DRD2DRD3DRD4HRH3MAPT
SCHEMBL16343091 0.90 DRD2 (0.54) DRD2DRD3DRD4HRH3MAPT
SCHEMBL14838834 0.88 GBA1 (0.44) DRD2DRD3DRD4HRH3MAPT
SCHEMBL16343084 0.88 CRHBP (0.42) DRD2DRD3DRD4HRH3MAPT
SCHEMBL16342872 0.88 DRD2 (0.45) DRD2DRD3DRD4HRH3HCRTR1
SCHEMBL16343527 0.88 DRD2 (0.45) DRD2DRD3DRD4HRH3HCRTR1
SCHEMBL16343162 0.88 DRD2 (0.45) DRD2DRD3DRD4HRH3OPRM1
SCHEMBL16343041 0.88 DRD2 (0.45) DRD2DRD3DRD4HRH3HCRTR1
SCHEMBL16343030 0.87 HCRTR1 (0.52) DRD2DRD3DRD4MAPTOPRM1

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 8 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 claimed
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
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
US-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist MERCK PATENT GMBH (DE) 2015-01-08 US 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 DRD2 2149/4885DRD3 3500/4885DRD4 3924/4885

“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.