SCHEMBL4360871

SCHEMBL4360871

N#CN1CCC2(CC1)OC(=O)c1cc(Br)ccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.54
NPY5R Q15761 5/20 0.46
SIGMAR1 Q99720 1/20 0.40
OTUD7B Q6GQQ9 5/20 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
SCHEMBL3841581 1.00 AVPR1A (0.54) AVPR1ANPY5RSIGMAR1OTUD7B
SCHEMBL3839594 0.82 AVPR1A (0.60) AVPR1ANPY5RSIGMAR1
SCHEMBL4048001 0.82 SIGMAR1 (0.58) AVPR1ANPY5RSIGMAR1
SCHEMBL31394077 0.77 AVPR1A (0.51) AVPR1ANPY5RSIGMAR1
SCHEMBL4372121 0.76 NPY5R (0.46) AVPR1ANPY5RSIGMAR1OTUD7B
SCHEMBL3842297 0.76 AVPR1A (0.50) AVPR1ANPY5RSIGMAR1
SCHEMBL12488997 0.76 SIGMAR1 (0.73) AVPR1ASIGMAR1
SCHEMBL30281158 0.76 SIGMAR1 (0.73) AVPR1ASIGMAR1
SCHEMBL31394738 0.74 AVPR1A (0.47) AVPR1ANPY5RSIGMAR1
SCHEMBL30508369 0.72 AVPR1A (0.48) AVPR1ANPY5R

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 200/4885SIGMAR1 44/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885NPY5R 79/4885SIGMAR1 53/4885

“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.