SCHEMBL6582159

SCHEMBL6582159

COc1ccccc1C1(N2CCc3ccccc3[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.42
AVPR1B P47901 6/20 0.42
AVPR1A P37288 5/20 0.42
AVPR2 P30518 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
CYP3A4 P08684 1/20 0.40
ACHE P22303 5/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
HTR7 P34969 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2497562 0.92 OXTR (0.42) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2500309 0.83 AVPR1B (0.47) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2502274 0.82 AVPR1A (0.45) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2495591 0.81 OXTR (0.50) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2496335 0.81 AVPR1B (0.48) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2496739 0.81 AVPR1B (0.46) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2499338 0.80 AVPR1A (0.52) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2500497 0.80 AVPR1A (0.52) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2498807 0.80 AVPR1B (0.45) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4479387 0.80 AVPR1A (0.52) OXTRAVPR1BAVPR1AAVPR2GPR65

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-1259505-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
US-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 US disclosed
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 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-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A OXTR 9/4885AVPR1B 2/4885AVPR1A 3/4885

“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.