SCHEMBL614648

SCHEMBL614648

CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.60
CNR1 P21554 1/20 0.47
SLC6A7 Q99884 2/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 3/20 0.44
ADRB2 P07550 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL615427 0.90 AVPR1A (0.60) AVPR1AKDM4ELMNAMAPTHTT
SCHEMBL615569 0.88 AVPR1A (0.56) AVPR1ACNR1KDM4ELMNAMAPT
SCHEMBL614385 0.85 AVPR1A (0.55) AVPR1ACNR1SLC6A7LMNAMAPT
SCHEMBL615574 0.85 AVPR1A (0.55) AVPR1ACNR1SLC6A7KDM4ELMNA
SCHEMBL614919 0.85 AVPR1A (0.53) AVPR1ACNR1KDM4EMEN1KMT2A
SCHEMBL615642 0.85 AVPR1A (0.53) AVPR1AALDH1A1
SCHEMBL10209675 0.85 AVPR1A (0.58) AVPR1ACNR1MAPTMEN1KMT2A
SCHEMBL615542 0.84 AVPR1A (0.57) AVPR1ACNR1LMNAMAPT
SCHEMBL616064 0.83 AVPR1A (0.61) AVPR1ACNR1MAPTMEN1KMT2A
SCHEMBL613064 0.83 AVPR1A (0.58) AVPR1ACNR1LMNAMAPTHTT

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 10 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
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 1/4885CNR1 31/4885SLC6A7 315/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885CNR1 31/4885SLC6A7 315/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885CNR1 31/4885SLC6A7 315/4885

“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.