SCHEMBL5436787

SCHEMBL5436787

COc1ccc(CN2C(=O)C(O)(c3cc(N)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.49
AVPR1A P37288 2/20 0.49
SCN9A Q15858 5/20 0.45
MAPT P10636 5/20 0.43
TP53 P04637 5/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL5427551 0.88 OXTR (0.50) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5436199 0.88 OXTR (0.55) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5424565 0.87 OXTR (0.39) OXTRAVPR1ASCN9A
SCHEMBL5425200 0.87 OXTR (0.54) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5435079 0.87 OXTR (0.47) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5435073 0.85 OXTR (0.47) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5429922 0.84 OXTR (0.66) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5431138 0.84 SCN9A (0.47) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL5436267 0.83 AVPR1A (0.54) OXTRAVPR1ASCN9AMAPTTP53
SCHEMBL6584840 0.81 OXTR (0.48) OXTRAVPR1ASCN9AMAPTTP53

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-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
US-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2004-03-25 US disclosed
US-6673790-B1 ANTAGONIST OF OXYTOCIN RECEPTORS USED IN COMBINATION WITH ANTAGONIST OF VASOPRESSIN V1A RECEPTORS FOR TREATMENT OF DYSMENORRHEA OR ENDOMETRIOSIS OR CONTROL OF PREMATURE LABOR AND FOR CONTROLLING PREPARATORY LABOR FOR CAESAREAN DELIVERY SANOFI-SYNTHELABO (FR) 2004-01-06 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-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them OXTR, AVPR2, AVPR1B OXTR 1/4885AVPR1A 5/4885SCN9A 2751/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B OXTR 1/4885AVPR1A 6/4885SCN9A 2847/4885

“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.