SCHEMBL4657443

SCHEMBL4657443

Cc1c(C(=O)N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.61
AVPR2 P30518 1/20 0.53
OPRM1 P35372 12/20 0.50
OPRL1 P41146 9/20 0.49
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
PRSS12 P56730 1/20 0.47
OPRD1 P41143 5/20 0.47
OPRK1 P41145 4/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
HRH2 P25021 3/20 0.47
HTR1D P28221 3/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 3/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 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
SCHEMBL4657450 0.86 AVPR1A (0.64) AVPR1AAVPR2OPRM1OPRL1OPRD1
SCHEMBL4658557 0.85 AVPR1A (0.71) AVPR1AAVPR2DRD2DRD4DRD3
SCHEMBL4657197 0.84 AVPR1A (0.77) AVPR1AAVPR2OPRL1POLB
SCHEMBL4658559 0.84 AVPR1A (0.70) AVPR1AAVPR2POLB
SCHEMBL4659267 0.84 AVPR1A (0.73) AVPR1AAVPR2OPRL1POLB
SCHEMBL4658601 0.82 AVPR1A (0.70) AVPR1AAVPR2OPRL1DRD2DRD4
SCHEMBL614992 0.81 AVPR1A (0.64) AVPR1AAVPR2HTR1DPOLB
SCHEMBL613242 0.77 AVPR1A (1.00) AVPR1AAVPR2POLB
SCHEMBL2921064 0.75 OPRM1 (0.80) OPRM1OPRL1SCN1ASCN2ASCN3A
SCHEMBL13610489 0.75 AVPR1A (0.62) AVPR1AAVPR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885OPRM1 34/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885OPRM1 34/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885OPRM1 34/4885

“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.