SCHEMBL1798932

SCHEMBL1798932

CCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.41
SLC6A9 P48067 1/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.35
GPR6 P46095 1/20 0.35
KMT2A Q03164 1/20 0.35
ALK Q9UM73 1/20 0.34
CHRM4 P08173 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL1795924 0.95 AVPR1B (0.40) AVPR1BACHEKMT2AALKCHRM4
SCHEMBL1800280 0.95 AVPR1B (0.40) AVPR1BSLC6A9ALDH1A1BLMLMNA
SCHEMBL1794494 0.94 AVPR1B (0.48) AVPR1BACHEALDH1A1LMNA
SCHEMBL1795104 0.93 AVPR1B (0.40) AVPR1BSLC6A9ALDH1A1BLMLMNA
SCHEMBL1797811 0.92 AVPR1B (0.42) AVPR1BSLC6A9ACHEGPR6ALK
SCHEMBL1794932 0.92 AVPR1B (0.42) AVPR1BSLC6A9ACHEALDH1A1BLM
SCHEMBL1799555 0.90 AVPR1B (0.48) AVPR1BACHEALKCHRM4
SCHEMBL1799000 0.90 AVPR1B (0.40) AVPR1BALDH1A1LMNAALK
SCHEMBL1797741 0.90 AVPR1B (0.41) AVPR1BACHEALK
SCHEMBL1794551 0.89 AVPR1B (0.47) AVPR1BACHEALDH1A1LMNA

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 3/4885SLC6A9 3173/4885ACHE 2619/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885SLC6A9 3301/4885ACHE 1902/4885

“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.