SCHEMBL4813486

SCHEMBL4813486

CN(C)C1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.60
OPRM1 P35372 5/20 0.60
DRD4 P21917 1/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRM4 P08173 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
TACR1 P25103 2/20 0.48
SLC6A4 P31645 2/20 0.48
POLB P06746 1/20 0.48
OPRD1 P41143 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL2834197 0.94 OPRL1 (0.59) OPRL1OPRM1DRD4GAAKDM4E
SCHEMBL2808157 0.89 OPRL1 (0.56) OPRL1OPRM1DRD4GAAKDM4E
SCHEMBL2834966 0.83 OPRL1 (0.61) OPRL1OPRM1ALDH1A1POLB
SCHEMBL3136902 0.82 OPRL1 (0.86) OPRL1OPRM1DRD4CHRM4LMNA
SCHEMBL4817542 0.82 OPRL1 (0.62) OPRL1OPRM1DRD4GAAKDM4E
Hydrochloric Acid SCHEMBL4813917 0.81 OPRL1 (0.84) OPRL1OPRM1DRD4KDM4ECHRM4
SCHEMBL699951 0.81 OPRL1 (0.63) OPRL1OPRM1DRD4GAAKDM4E
SCHEMBL2834848 0.81 SLC6A4 (0.62) OPRL1OPRM1DRD4GAAKDM4E
SCHEMBL2808174 0.80 OPRL1 (0.54) OPRL1OPRM1DRD4GAAKDM4E
SCHEMBL3126554 0.80 OPRL1 (0.62) OPRL1OPRM1DRD4GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513835-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 OPRL1 29/4885OPRM1 104/4885DRD4 331/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRL1 24/4885OPRM1 52/4885DRD4 238/4885

“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.