SCHEMBL20729359

SCHEMBL20729359

CC1NCc2cc(Cl)ccc2-n2c(C3CCN(c4ccc(F)cn4)CC3)nnc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.56
OXTR P30559 8/20 0.53
AVPR2 P30518 6/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL22105840 0.88 AVPR1A (0.52) AVPR1AOXTRAVPR2
SCHEMBL20582103 0.87 AVPR1A (0.73) AVPR1AOXTRAVPR2
SCHEMBL20727451 0.84 AVPR1A (0.77) AVPR1AOXTRAVPR2KCNH2
SCHEMBL22092965 0.83 AVPR1A (0.60) AVPR1AOXTRAVPR2
SCHEMBL20727825 0.83 AVPR1A (0.77) AVPR1AOXTRAVPR2KCNH2
SCHEMBL20727292 0.80 AVPR1A (0.75) AVPR1AOXTRAVPR2KCNH2
SCHEMBL20727852 0.80 OXTR (0.81) AVPR1AOXTRAVPR2
SCHEMBL20727410 0.78 OXTR (0.80) AVPR1AOXTRAVPR2KCNH2
SCHEMBL20727338 0.78 AVPR2 (0.79) AVPR1AOXTRAVPR2KCNH2
SCHEMBL20727384 0.78 AVPR2 (0.79) AVPR1AOXTRAVPR2KCNH2

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
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 AVPR1A 2/4885OXTR 8/4885AVPR2 3/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 8/4885AVPR2 3/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 8/4885AVPR2 3/4885

“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.