SCHEMBL3225093

SCHEMBL3225093

CCOc1ccc2c(c1)C(C)(c1cc(C(=O)NCCN(CC)CC)ccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
AVPR1A P37288 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 3/20 0.38
GNRHR P30968 1/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MCHR1 Q99705 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SCN1A P35498 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
SCHEMBL3230272 0.92 AVPR1A (0.42) MAPTAVPR1AKMT2AGNRHRCA9
SCHEMBL3232071 0.91 AVPR1A (0.51) MAPTAVPR1ACYP3A4CYP2C9KMT2A
SCHEMBL3233778 0.88 AVPR1A (0.41) MAPTAVPR1AKMT2AGNRHRALDH1A1
SCHEMBL3228428 0.88 AVPR1A (0.43) MAPTAVPR1ACYP2C9KMT2AGNRHR
SCHEMBL3222818 0.87 AVPR1A (0.44) MAPTAVPR1ACYP2C9KMT2AGNRHR
SCHEMBL3234467 0.86 AVPR1A (0.42) MAPTAVPR1ACYP2C9KMT2AGNRHR
SCHEMBL3231069 0.86 AVPR1A (0.47) MAPTAVPR1AKMT2AGNRHRMEN1
SCHEMBL3233812 0.85 AVPR1A (0.46) MAPTAVPR1AKMT2AALDH1A1MEN1
SCHEMBL3237015 0.85 AVPR1A (0.40) MAPTAVPR1ACYP2C9KMT2AGNRHR
SCHEMBL3233628 0.85 AVPR1A (0.43) MAPTAVPR1ACYP2C9KMT2AGNRHR

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
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US claimed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B MAPT 3330/4885AVPR1A 2/4885CYP3A4 2374/4885

“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.