SCHEMBL4987131

SCHEMBL4987131

O=C1OC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.56
P2RX7 Q99572 5/20 0.47
NPY5R Q15761 6/20 0.45
HSD11B1 P28845 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ACACB O00763 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3837993 0.88 AVPR1A (0.59) AVPR1AP2RX7NPY5RHSD11B1CYP2D6
SCHEMBL3841668 0.88 HRH3 (0.49) AVPR1AP2RX7NPY5R
SCHEMBL3842034 0.84 AVPR1A (0.46) AVPR1AP2RX7NPY5RGAA
SCHEMBL3839680 0.83 P2RX7 (0.50) AVPR1AP2RX7NPY5R
SCHEMBL4988916 0.81 AVPR1A (0.52) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL3836464 0.81 HRH3 (0.49) AVPR1AP2RX7NPY5R
SCHEMBL4364065 0.79 AVPR1A (0.87) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL3836835 0.77 AVPR1A (0.50) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL3836672 0.75 AVPR1A (0.63) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL4365900 0.74 AVPR1A (0.76) AVPR1AKDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US claimed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US claimed
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 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-20080153863-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885P2RX7 74/4885NPY5R 22/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885P2RX7 74/4885NPY5R 22/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885P2RX7 74/4885NPY5R 22/4885

“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.