SCHEMBL75425

SCHEMBL75425

CCOc1ccccc1C1(OC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(C#N)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.55
PANK3 Q9H999 1/20 0.38
CYP3A4 P08684 2/20 0.38
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL75454 0.93 AVPR1B (0.48) AVPR1BPANK3SLC6A9KDM4EALDH1A1
SCHEMBL4510754 0.91 AVPR1B (0.54) AVPR1BCYP3A4KDM4EALDH1A1LMNA
SCHEMBL75165 0.90 AVPR1B (0.48) AVPR1BPANK3CYP3A4SLC6A9KDM4E
SCHEMBL75347 0.90 AVPR1B (0.67) AVPR1BCYP3A4
SCHEMBL75515 0.90 AVPR1B (0.46) AVPR1BPANK3CYP3A4SLC6A9KDM4E
SCHEMBL74522 0.89 AVPR1B (0.63) AVPR1BCYP3A4KDM4EALDH1A1LMNA
SCHEMBL4501988 0.88 AVPR1B (0.45) AVPR1BPANK3CYP3A4SLC6A9KDM4E
SCHEMBL74193 0.88 AVPR1B (0.63) AVPR1BCYP3A4
SCHEMBL76062 0.88 AVPR1B (0.53) AVPR1BCYP3A4SLC6A9RAB9A
SCHEMBL76349 0.88 AVPR1B (0.63) 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 3/4885PANK3 3400/4885CYP3A4 2738/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B AVPR1B 3/4885PANK3 3400/4885CYP3A4 2738/4885

“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.