SCHEMBL614342

SCHEMBL614342

Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.55
CYP46A1 Q9Y6A2 5/20 0.53
EPHX2 P34913 1/20 0.50
TACR1 P25103 5/20 0.49
AVPR1B P47901 1/20 0.48
PKLR P30613 2/20 0.47
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
ENPP2 Q13822 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
SCHEMBL615742 0.87 AVPR1A (0.61) AVPR1ACYP46A1AVPR1B
SCHEMBL615911 0.79 AVPR1A (0.80) AVPR1ACYP46A1EPHX2TACR1AVPR1B
SCHEMBL7801183 0.74 TACR1 (0.66) TACR1
SCHEMBL613119 0.72 AVPR1A (0.67) AVPR1ACYP46A1TACR1
SCHEMBL11554442 0.71 AVPR1A (0.50) AVPR1ACYP46A1AVPR1B
SCHEMBL11550991 0.71 TACR1 (0.52) AVPR1ATACR1
SCHEMBL613242 0.71 AVPR1A (1.00) AVPR1ACYP46A1AVPR1BPKLR
SCHEMBL4521864 0.71 GRIN2D (0.52) AVPR1ACYP46A1
SCHEMBL28516701 0.70 MEN1 (0.54) PTGS2ENPP2
SCHEMBL4359452 0.70 AVPR1A (0.68) AVPR1A

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 9 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
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-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

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 1/4885CYP46A1 1425/4885EPHX2 4562/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885CYP46A1 1425/4885EPHX2 4562/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885CYP46A1 1425/4885EPHX2 4562/4885

“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.