SCHEMBL5630751

SCHEMBL5630751

O=C(CN1CCN(c2nccs2)CC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRL1 P41146 7/20 0.46
SCD O00767 1/20 0.45
CHRM4 P08173 1/20 0.44
OPRK1 P41145 1/20 0.44
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL5727717 0.89 SCD (0.43) SCDCYP3A4CYP2D6TSHRSMN1; SMN2
SCHEMBL5628723 0.89 SLC6A4 (0.44) SCDCYP3A4CYP2D6TSHRSMN1; SMN2
SCHEMBL5632492 0.88 SCD (0.42) OPRM1OPRL1SCDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5628471 0.88 SLC6A4 (0.44) SCDCYP3A4CYP2D6TSHRSMN1; SMN2
SCHEMBL5631358 0.87 PKLR (0.44) SCDOPRK1OPRD1SMN1; SMN2PKLR
SCHEMBL5632356 0.87 SLC6A2 (0.47) OPRM1OPRL1SCDCYP3A4CYP2D6
SCHEMBL5628463 0.87 SLC6A4 (0.47) SCDCYP3A4CYP2D6TSHRSMN1; SMN2
SCHEMBL5727585 0.86 DRD4 (0.40) OPRM1OPRL1SCDOPRK1OPRD1
SCHEMBL5628570 0.86 TACR1 (0.42) SCDCHRM4SMN1; SMN2MAPTMEN1
SCHEMBL5629140 0.84 OPRM1 (0.47) OPRM1OPRL1SCDOPRK1OPRD1

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-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US claimed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US claimed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US 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
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

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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 OPRM1 104/4885OPRL1 29/4885SCD 4457/4885

“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.