SCHEMBL615742

SCHEMBL615742

Cc1[nH]c2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.61
▸ AVPR1B P47901 1/20 0.56
▸ CYP46A1 Q9Y6A2 7/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MITF O75030 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45

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
SCHEMBL614342 0.87 AVPR1A (0.55) AVPR1AAVPR1BCYP46A1
SCHEMBL11550991 0.81 TACR1 (0.52) AVPR1AALDH1A1POLB
SCHEMBL11554442 0.81 AVPR1A (0.50) AVPR1AAVPR1BCYP46A1ALDH1A1MAPT
SCHEMBL8710700 0.77 AVPR1A (0.65) AVPR1AAVPR1BCYP46A1ALDH1A1CYP2C9
SCHEMBL613242 0.76 AVPR1A (1.00) AVPR1AAVPR1BCYP46A1KMT2APOLB
SCHEMBL4357791 0.75 AVPR1A (0.64) AVPR1AALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL11550343 0.74 POLB (0.59) ALDH1A1KDM4EKMT2AMAPTPOLB
SCHEMBL4357451 0.73 MCHR2 (0.52) ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2
SCHEMBL3833018 0.73 AVPR1A (0.62) AVPR1AAVPR1BCYP46A1CYP2C9CYP2C19
SCHEMBL14840218 0.72 CYP46A1 (0.66) AVPR1AAVPR1BCYP46A1CYP2C9CYP2C19

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 1/4885AVPR1B 4/4885CYP46A1 1425/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR1B 4/4885CYP46A1 1425/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR1B 4/4885CYP46A1 1425/4885

“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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