SCHEMBL6202298

SCHEMBL6202298

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1COC(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.46
OXTR P30559 9/20 0.46
AVPR1A P37288 5/20 0.43
AVPR1B P47901 5/20 0.43

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
SCHEMBL6202295 0.79 AVPR1A (0.46) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202773 0.78 AVPR1A (0.55) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL4835299 0.77 AVPR1A (0.54) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6366104 0.74 AVPR2 (0.51) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL8368994 0.72 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL4828748 0.72 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6203310 0.72 AVPR1A (0.60) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5429019 0.71 AVPR2 (0.67) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL1660513 0.71 AVPR2 (0.67) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL38963 0.70 AVPR2 (0.47) AVPR2OXTRAVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
EP-1399436-A2 OXYTOCIN AGONISTS Ferring BV (NL) 2004-03-24 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2003000692-A2 OXYTOCIN AGONISTS FERRING BV (NL) 2003-01-03 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 (2 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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R AVPR2 15/4885OXTR 1/4885AVPR1A 8/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR AVPR2 10/4885OXTR 1/4885AVPR1A 7/4885

“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.