SCHEMBL1796604

SCHEMBL1796604

CCOc1ccccc1C1(NC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 19/20 0.44
AVPR1A P37288 5/20 0.39
OXTR P30559 3/20 0.39
AVPR2 P30518 2/20 0.39
GPR65 Q8IYL9 1/20 0.39

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
SCHEMBL1799770 0.96 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1796109 0.95 AVPR1B (0.37) AVPR1BAVPR1A
SCHEMBL1796978 0.94 AVPR1B (0.43) AVPR1BAVPR1AOXTRAVPR2GPR65
Hydrochloric Acid SCHEMBL1799042 0.93 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
Hydrochloric Acid SCHEMBL1794909 0.93 AVPR1B (0.47) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1785631 0.91 AVPR1B (0.55) AVPR1BAVPR1AOXTRAVPR2GPR65
Hydrochloric Acid SCHEMBL1798679 0.91 ALDH1A1 (0.39) AVPR1BAVPR1AOXTR
Hydrochloric Acid SCHEMBL1800690 0.90 AVPR1B (0.42) AVPR1BAVPR1AOXTRAVPR2GPR65
Hydrochloric Acid SCHEMBL1798822 0.90 AVPR1B (0.44) AVPR1BAVPR1AOXTRAVPR2GPR65
Hydrochloric Acid SCHEMBL1795596 0.90 AVPR1B (0.47) AVPR1BAVPR1AOXTRAVPR2GPR65

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-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 US disclosed
US-7951807-B2 Substituted oxindol derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2011-05-31 US disclosed
US-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-01 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 (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-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same OXTR, AVPR2, AVPR1B AVPR1B 3/4885AVPR1A 4/4885OXTR 1/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885AVPR1A 4/4885OXTR 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.