SCHEMBL615136

SCHEMBL615136

COc1ccc(N2CCN(C(=O)c3c(C)n(Cc4ccccc4)c4ccccc34)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.60
POLB P06746 2/20 0.54
AVPR2 P30518 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.52
PLA2G2A P14555 2/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL613584 0.91 AVPR1A (0.68) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL613302 0.89 AVPR1A (0.63) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL614373 0.84 AVPR1A (0.60) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL616088 0.81 AVPR1A (0.64) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL10265794 0.79 AVPR1A (0.69) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL3566545 0.77 AVPR1A (0.67) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL4359848 0.76 AVPR1A (0.61) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL4368193 0.76 AVPR1A (0.61) AVPR1APOLBAVPR2KMT2AMEN1
SCHEMBL4359406 0.76 AVPR1A (0.84) AVPR1APOLBAVPR2ALDH1A1TSHR
SCHEMBL4657197 0.75 AVPR1A (0.77) AVPR1APOLBAVPR2KMT2AMEN1

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 14 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 claimed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US claimed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US claimed
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
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
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 1/4885POLB 3988/4885AVPR2 2/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885POLB 3988/4885AVPR2 2/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885POLB 3988/4885AVPR2 2/4885

“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.