SCHEMBL20727339

SCHEMBL20727339

O=C(OC1CC1)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccc(F)cn3)CC2)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.81
AVPR2 P30518 14/20 0.68
AVPR1A P37288 6/20 0.66
KCNH2 Q12809 4/20 0.66

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
SCHEMBL20727392 0.92 AVPR2 (0.81) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727332 0.92 AVPR2 (0.80) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727340 0.91 AVPR2 (0.79) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727355 0.90 OXTR (1.00) OXTRAVPR2AVPR1A
SCHEMBL20727404 0.90 OXTR (0.81) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20729361 0.90 AVPR2 (0.68) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727605 0.89 AVPR2 (0.69) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727351 0.88 AVPR2 (0.81) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727567 0.88 AVPR2 (0.69) OXTRAVPR2AVPR1AKCNH2
SCHEMBL20727402 0.88 AVPR2 (0.67) OXTRAVPR2AVPR1AKCNH2

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