SCHEMBL4812942

SCHEMBL4812942

N#CC1(c2cccc(Cl)c2)CCN(C(=O)CCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
CHRM4 P08173 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
OPRM1 P35372 3/20 0.42
KMT2A Q03164 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
OPRL1 P41146 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.40
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL702013 0.86 CA12 (0.49) SCDCHRM4CA12CA1CA2
SCHEMBL4816292 0.84 OPRM1 (0.57) CHRM4CA12CA1CA2CA9
SCHEMBL4813888 0.83 KMT2A (0.65) CHRM4KMT2AHRH3MMP13ADAM17
SCHEMBL4816092 0.83 KMT2A (0.44) CHRM4CA12CA1CA2CA9
SCHEMBL2495709 0.81 CA12 (0.60) CA12CA1CA2CA9CA7
SCHEMBL31158359 0.79 STS (0.47) KMT2AMEN1OPRD1SMN1; SMN2
SCHEMBL2573823 0.79 STS (0.47) KMT2AMEN1OPRD1SMN1; SMN2
SCHEMBL923226 0.78 KMT2A (0.45) SCDCA12CA1CA2CA9
SCHEMBL5758344 0.77 KMT2A (0.66) SCDOPRM1KMT2AOPRL1
SCHEMBL4813979 0.75 MEN1 (0.45) SCDKMT2AMEN1ADAM17ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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 (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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 SCD 4457/4885CHRM4 183/4885CA12 2954/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 SCD 4168/4885CHRM4 135/4885CA12 3251/4885

“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.