SCHEMBL4813515

SCHEMBL4813515

O=C(CCl)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.58
▸ DRD2 P14416 2/20 0.56
▸ HTR2C P28335 2/20 0.51
▸ GRM2 Q14416 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ USP5 P45974 1/20 0.48
▸ CCR2 P41597 5/20 0.48
▸ RBP4 P02753 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ DRD4 P21917 1/20 0.45
▸ MGLL Q99685 1/20 0.44

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
SCHEMBL1761033 0.85 DRD2 (0.56) CHRM4DRD2HTR2CGRM2USP5
SCHEMBL15840485 0.85 DRD2 (0.54) CHRM4DRD2HTR2CMEN1KMT2A
SCHEMBL1581482 0.84 DRD2 (0.58) CHRM4DRD2HTR2CGRM2USP5
SCHEMBL17208434 0.83 DRD2 (0.55) CHRM4DRD2HTR2CGRM2MEN1
SCHEMBL8903163 0.79 YAP1 (0.58) CHRM4
SCHEMBL1498586 0.78 CNR1 (0.47) MEN1KMT2AEPHX2
SCHEMBL5447949 0.77 DRD2 (0.51) CHRM4DRD2HTR2CGRM2USP5
SCHEMBL1401414 0.77 ECE2 (0.57) CHRM4DRD2HTR2CGRM2MEN1
SCHEMBL27382202 0.77 DRD2 (0.57) CHRM4DRD2HTR2CUSP5CCR2
SCHEMBL11223978 0.76 TPSAB1 (0.56) CHRM4DRD2CCR2

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-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 CHRM4 183/4885DRD2 462/4885HTR2C 1184/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 CHRM4 135/4885DRD2 389/4885HTR2C 1220/4885

“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.

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