SCHEMBL4808795

SCHEMBL4808795

N#CC1(c2ccc(Cl)cc2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
DPP4 P27487 1/20 0.40
SCD O00767 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
GRM5 P41594 1/20 0.38
DEGS1 O15121 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
SCN9A Q15858 1/20 0.37
SLC6A7 Q99884 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4813979 0.89 MEN1 (0.45) SMN1; SMN2KDM4EDPP4SCDDRD2
SCHEMBL5755134 0.84 GFER (0.44) GFERSMN1; SMN2MRGPRX1KDM4EPOLB
SCHEMBL4812928 0.82 KDM4E (0.47) SMN1; SMN2KDM4EDRD2SCN9AALDH1A1
SCHEMBL4808418 0.82 KMT2A (0.48) DRD4HRH3ALDH1A1
SCHEMBL4819635 0.80 ADRA1D (0.42) SMN1; SMN2KDM4EDRD2DRD4SLC6A7
Trifluoroacetic Acid SCHEMBL4816285 0.79 SMN1; SMN2 (0.39) GFERSMN1; SMN2MRGPRX1KDM4EPOLB
SCHEMBL4806920 0.75 MEN1 (0.46) KDM4EDPP4DRD2DRD4SLC6A7
SCHEMBL5760860 0.74 SLC6A7 (0.46) KDM4EOPRM1DRD2DRD4HRH3
SCHEMBL4813430 0.74 NAMPT (0.49) GFERSMN1; SMN2MRGPRX1KDM4EPOLB
SCHEMBL4816292 0.73 OPRM1 (0.57) OPRM1DRD2DRD4HRH3

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
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
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 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
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 (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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 GFER 1092/4885SMN1; SMN2 2222/4885MRGPRX1 891/4885

“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.