SCHEMBL20728792

SCHEMBL20728792

Cc1nccnc1N1CC2(CC(c3nnc4n3-c3ccc(Cl)cc3CN(CC3(F)CC3)C4)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.59
OXTR P30559 1/20 0.57
AVPR1A P37288 14/20 0.56

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
SCHEMBL20728290 0.93 AVPR2 (0.57) AVPR2OXTRAVPR1A
SCHEMBL20728783 0.90 AVPR1A (0.51) AVPR2OXTRAVPR1A
SCHEMBL20729146 0.89 AVPR2 (0.58) AVPR2OXTRAVPR1A
SCHEMBL20729232 0.89 AVPR2 (0.65) AVPR2OXTRAVPR1A
SCHEMBL20728533 0.88 AVPR2 (0.60) AVPR2OXTRAVPR1A
SCHEMBL20729264 0.88 AVPR2 (0.58) AVPR2OXTRAVPR1A
SCHEMBL20729229 0.86 AVPR2 (0.65) AVPR2OXTRAVPR1A
SCHEMBL20729222 0.86 AVPR2 (0.59) AVPR2OXTRAVPR1A
SCHEMBL20729082 0.86 AVPR1A (0.71) AVPR2OXTRAVPR1A
SCHEMBL20728813 0.86 AVPR2 (0.63) AVPR2OXTRAVPR1A

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-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 US disclosed
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 US disclosed
EP-3634963-B1 1-(2-AZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS FOR TREATING NEUROPSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS INC (US) 2023-02-22 EP disclosed
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-02-14 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-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 AVPR2 3/4885OXTR 8/4885AVPR1A 2/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 AVPR2 3/4885OXTR 8/4885AVPR1A 2/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 AVPR2 3/4885OXTR 8/4885AVPR1A 2/4885

“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.