SCHEMBL4513290

SCHEMBL4513290

CCOc1ccccc1C1(OC(=O)N2CCN(c3ncccn3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.57
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
FABP1 P07148 1/20 0.40
ATM Q13315 1/20 0.38
SLC6A9 P48067 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
SCHEMBL4520146 0.94 AVPR1B (0.55) AVPR1BGAATSHRLMNAFABP1
SCHEMBL4501396 0.93 AVPR1B (0.66) AVPR1BGAATSHRLMNA
SCHEMBL4510754 0.92 AVPR1B (0.54) AVPR1BGAATSHRLMNAFABP1
SCHEMBL4502606 0.91 AVPR1B (0.53) AVPR1BGAATSHRLMNAFABP1
SCHEMBL4505337 0.91 AVPR1B (0.55) AVPR1BGAATSHRLMNAFABP1
SCHEMBL1464844 0.89 AVPR1B (0.51) AVPR1BGAATSHRLMNAFABP1
SCHEMBL73400 0.87 AVPR1B (0.65) AVPR1B
SCHEMBL75347 0.84 AVPR1B (0.67) AVPR1B
SCHEMBL74123 0.83 AVPR1B (0.59) AVPR1BSLC6A9
SCHEMBL75425 0.82 AVPR1B (0.55) AVPR1BTSHRLMNASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US claimed
US-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-08-27 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-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885GAA 4415/4885TSHR 231/4885

“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.