SCHEMBL4367033

SCHEMBL4367033

N#CCCCn1cc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.57
NPY5R Q15761 7/20 0.43
HSD11B1 P28845 2/20 0.43
CYP2D6 P10635 1/20 0.43
OXTR P30559 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4367028 1.00 AVPR1A (0.57) AVPR1ANPY5RHSD11B1CYP2D6OXTR
SCHEMBL4358404 0.95 AVPR1A (0.59) AVPR1ANPY5RHSD11B1CYP2D6OXTR
SCHEMBL4358401 0.95 AVPR1A (0.59) AVPR1ANPY5RHSD11B1CYP2D6OXTR
SCHEMBL4369116 0.90 AVPR1A (0.60) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL4360888 0.90 AVPR1A (0.60) AVPR1ANPY5RHSD11B1CYP2D6
SCHEMBL4359491 0.86 AVPR1A (0.56) AVPR1ANPY5RHSD11B1CYP2D6OXTR
SCHEMBL4359488 0.86 AVPR1A (0.56) AVPR1ANPY5RHSD11B1CYP2D6OXTR
SCHEMBL4362852 0.86 AVPR1A (0.51) AVPR1ANPY5ROXTR
SCHEMBL4362850 0.86 AVPR1A (0.51) AVPR1ANPY5ROXTR
SCHEMBL4361656 0.85 AVPR1A (0.74) AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 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 (2 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885NPY5R 200/4885HSD11B1 1456/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885NPY5R 79/4885HSD11B1 1820/4885

“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.