SCHEMBL1799555

SCHEMBL1799555

CCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(C#N)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 13/20 0.48
PAX8 Q06710 1/20 0.40
ACHE P22303 2/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
ALK Q9UM73 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1796142 0.95 AVPR1B (0.55) AVPR1BACHE
SCHEMBL1795847 0.95 AVPR1B (0.47) AVPR1BPAX8HRH1CCR3ALK
SCHEMBL1797811 0.94 AVPR1B (0.42) AVPR1BPAX8ACHEALKCHRM4
SCHEMBL1798896 0.94 AVPR1B (0.48) AVPR1BPAX8ALK
SCHEMBL1785070 0.93 AVPR1B (0.50) AVPR1BPAX8KDM4E
SCHEMBL1798555 0.92 AVPR1B (0.47) AVPR1BPAX8HRH1CCR3ALK
Hydrochloric Acid SCHEMBL1797647 0.92 AVPR1B (0.48) AVPR1BPAX8ALK
SCHEMBL1795924 0.92 AVPR1B (0.40) AVPR1BACHEHRH1CCR3ALK
SCHEMBL1794494 0.92 AVPR1B (0.48) AVPR1BACHEKDM4E
SCHEMBL1794932 0.91 AVPR1B (0.42) AVPR1BPAX8ACHEALKCHRM4

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 3/4885PAX8 1957/4885ACHE 2619/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B AVPR1B 3/4885PAX8 1502/4885ACHE 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.