SCHEMBL13610481

SCHEMBL13610481

O=CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
AVPR1A P37288 4/20 0.52
OPRD1 P41143 1/20 0.50

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
SCHEMBL29204433 0.84 SIGMAR1 (0.60) SIGMAR1AVPR1AOPRD1
SCHEMBL6919513 0.81 SIGMAR1 (0.57) SIGMAR1OPRD1
SCHEMBL9615977 0.80 SIGMAR1 (0.54) SIGMAR1AVPR1AOPRD1
SCHEMBL15963361 0.80 SIGMAR1 (0.59) SIGMAR1AVPR1AOPRD1
SCHEMBL12183893 0.80 SIGMAR1 (0.56) SIGMAR1AVPR1AOPRD1
SCHEMBL24507144 0.80 SIGMAR1 (0.59) SIGMAR1AVPR1AOPRD1
SCHEMBL8010724 0.79 SIGMAR1 (0.66) SIGMAR1
SCHEMBL29990866 0.78 AVPR1A (0.59) SIGMAR1AVPR1A
SCHEMBL6993813 0.78 AVPR1A (0.59) SIGMAR1AVPR1A
SCHEMBL1222056 0.78 AVPR1A (0.59) SIGMAR1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 EP disclosed
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 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 (1 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-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR SIGMAR1 53/4885AVPR1A 1/4885OPRD1 6/4885

“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.