SCHEMBL5284652

SCHEMBL5284652

CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 1.00
AVPR2 P30518 10/20 1.00
KCNH2 Q12809 4/20 1.00
OXTR P30559 3/20 0.68

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
Hydrochloric Acid SCHEMBL5107962 0.99 AVPR1A (0.98) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5102014 0.94 AVPR1A (0.89) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727425 0.92 AVPR1A (0.86) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727593 0.92 AVPR1A (0.86) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5280763 0.92 AVPR1A (0.86) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727409 0.92 AVPR1A (1.00) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5280988 0.92 AVPR1A (0.85) AVPR1AAVPR2KCNH2OXTR
Hydrochloric Acid SCHEMBL5094923 0.92 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5094865 0.91 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR
Hydrochloric Acid SCHEMBL5102078 0.91 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP claimed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP claimed
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
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO 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 2/4885AVPR2 3/4885KCNH2 635/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885AVPR2 3/4885KCNH2 635/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885AVPR2 3/4885KCNH2 635/4885

“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.