SCHEMBL4815044

SCHEMBL4815044

COc1cccc(C2(O)CCN(C(=O)CCl)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
OPRD1 P41143 4/20 0.56
OPRK1 P41145 3/20 0.56
OPRM1 P35372 1/20 0.56
OPRL1 P41146 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54
GRIN2B Q13224 4/20 0.47
GAA P10253 1/20 0.46
PKLR P30613 1/20 0.46

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
SCHEMBL4806928 0.84 ALDH1A1 (0.48) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL2588266 0.84 ALDH1A1 (0.73) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL4813888 0.83 KMT2A (0.65) ALDH1A1OPRD1OPRK1KMT2ALMNA
SCHEMBL4812915 0.83 ALDH1A1 (0.55) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL14704741 0.82 ALDH1A1 (0.59) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL5240524 0.79 ALDH1A1 (0.65) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL31690791 0.79 ALDH1A1 (0.61) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL10389866 0.78 OPRM1 (0.67) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL7504527 0.78 ALDH1A1 (0.60) ALDH1A1OPRD1OPRK1OPRM1OPRL1
SCHEMBL31557718 0.78 OPRM1 (0.64) ALDH1A1OPRD1OPRK1OPRM1OPRL1

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-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO 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 (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 ALDH1A1 509/4885OPRD1 71/4885OPRK1 172/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 ALDH1A1 445/4885OPRD1 47/4885OPRK1 151/4885

“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.