SCHEMBL24390785

SCHEMBL24390785

NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCCC2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.96

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 7/20 0.96
▸ AVPR1B P47901 5/20 0.96
▸ AVPR2 P30518 4/20 0.96
▸ OXTR P30559 4/20 0.96
▸ PTGS1 P23219 1/20 0.84
▸ TBXA2R P21731 1/20 0.68
▸ PDE4D Q08499 1/20 0.68
▸ PDE3A Q14432 1/20 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
SCHEMBL19733909 1.00 AVPR1A (0.96) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL19712236 0.98 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTRPTGS1
SCHEMBL19705283 0.98 AVPR1A (0.92) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL18937546 0.98 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL17874853 0.98 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL29688276 0.98 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL29530914 0.96 AVPR1A (0.97) AVPR1AAVPR1BAVPR2OXTRPTGS1
SCHEMBL18476287 0.96 AVPR1A (0.96) AVPR1AAVPR1BAVPR2OXTRPTGS1
SCHEMBL23879427 0.96 AVPR1A (0.96) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasopressin SCHEMBL1172390 0.95 AVPR1A (0.95) AVPR1AAVPR1BAVPR2OXTRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133838-A1 VASOPRESSIN FORMULATIONS FOR USE IN TREATMENT OF HYPOTENSION WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2022-05-05 — — 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-20220133838-A1 VASOPRESSIN FORMULATIONS FOR USE IN TREATMENT OF HYPOTENSION AVPR2, AVPR1B, AVPR1A AVPR1A 3/4885AVPR1B 2/4885AVPR2 1/4885

“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.

Send feedback