SCHEMBL74493

SCHEMBL74493

CCOc1ccccc1C1(C(=O)NN2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C#N)cc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.57
CYP3A4 P08684 2/20 0.44
F10 P00742 1/20 0.36
SLC6A9 P48067 1/20 0.35
GPR6 P46095 1/20 0.35

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
SCHEMBL73834 0.94 AVPR1B (0.61) AVPR1BCYP3A4SLC6A9GPR6
SCHEMBL75732 0.93 AVPR1B (0.60) AVPR1BCYP3A4SLC6A9GPR6
SCHEMBL74740 0.90 AVPR1B (0.45) AVPR1BCYP3A4SLC6A9
SCHEMBL4513084 0.88 AVPR1B (0.55) AVPR1BCYP3A4SLC6A9GPR6
SCHEMBL74350 0.88 AVPR1B (0.67) AVPR1BCYP3A4
SCHEMBL75235 0.87 AVPR1B (0.59) AVPR1BCYP3A4F10SLC6A9GPR6
Hydrochloric Acid SCHEMBL74306 0.87 AVPR1B (0.66) AVPR1BCYP3A4
SCHEMBL75346 0.86 AVPR1B (0.59) AVPR1BCYP3A4F10SLC6A9GPR6
SCHEMBL74212 0.86 AVPR1B (0.57) AVPR1BCYP3A4SLC6A9
SCHEMBL4508534 0.85 AVPR1B (0.66) AVPR1BCYP3A4

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-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US claimed
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-31 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885CYP3A4 2738/4885F10 462/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B AVPR1B 3/4885CYP3A4 2738/4885F10 462/4885

“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.