SCHEMBL4087791

SCHEMBL4087791

CNCc1ccc[c]c1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 10/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A3 Q01959 8/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2A P28223 3/20 0.36
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LTA4H P09960 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
IFNAR1 P17181 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4073818 0.80 TAAR1 (0.35) KCNH2
SCHEMBL455800 0.79 GABRA1 (0.37) KCNH2MAPTKDM4E
SCHEMBL15985144 0.78 POLB (0.33) POLBMEN1KMT2ASLC6A4SLC6A2
SCHEMBL27615229 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3367668 0.77 TAAR1 (0.37) ALDH1A1MAPTGAA
SCHEMBL2441393 0.77 PDE4A (0.35) MEN1KMT2AMAPT
SCHEMBL8939750 0.76 LTA4H (0.44) HTR2ALTA4HCYP3A4
SCHEMBL6504160 0.76 HMGCR (0.35) MEN1KMT2AGAA
SCHEMBL25398700 0.75 SLC6A4 (0.37) POLBMEN1KMT2ASLC6A4SLC6A2
SCHEMBL4090309 0.74 SLC6A4 (0.44) MEN1KMT2ASLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US claimed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US claimed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US disclosed
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP disclosed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO 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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B POLB 4596/4885MEN1 860/4885KMT2A 4590/4885

“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.