SCHEMBL612486

SCHEMBL612486

CN(C)CCNC(=O)Cn1cc(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.58
USP10 Q14694 3/20 0.42
HTR6 P50406 1/20 0.42
CPT1A P50416 1/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAT2A P31153 1/20 0.40
P2RY12 Q9H244 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1G O43497 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL615015 0.87 AVPR1A (0.55) AVPR1AUSP10KDM4EMAT2AP2RY12
SCHEMBL3098967 0.82 HTR6 (0.59) AVPR1AHTR6CPT1A
SCHEMBL613579 0.82 CPT1A (0.45) AVPR1ACPT1AKDM4EMAPTMAT2A
SCHEMBL612485 0.80 AVPR1A (0.54) AVPR1ACPT1AMAT2A
SCHEMBL613100 0.78 AVPR1A (0.63) AVPR1ACYP1A2MAPTTSHRSMN1; SMN2
SCHEMBL615241 0.77 AVPR1A (0.58) AVPR1AUSP10KDM4EMAPTKMT2A
SCHEMBL613555 0.77 AVPR1A (0.62) AVPR1AUSP10
SCHEMBL612418 0.76 AVPR1A (0.62) AVPR1AKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL614908 0.76 AVPR1A (0.60) AVPR1AMAPTKMT2A
SCHEMBL2642676 0.75 KDM4E (0.48) CPT1ACYP1A2KDM4ETSHRSMN1; SMN2

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 7 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
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
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 1/4885USP10 3884/4885HTR6 117/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885USP10 3884/4885HTR6 117/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885USP10 3884/4885HTR6 117/4885

“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.