SCHEMBL4590696

SCHEMBL4590696

COc1ccccc1C1(N2CCC[C@H]2C(=O)O)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
ACHE P22303 4/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SLC6A9 P48067 1/20 0.41
OXTR P30559 7/20 0.40
AVPR1B P47901 7/20 0.40
AVPR1A P37288 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2495591 0.90 OXTR (0.50) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL2496335 0.88 AVPR1B (0.48) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL7082059 0.88 OXTR (0.41) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL2500309 0.84 AVPR1B (0.47) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL5070494 0.84 AVPR1A (0.51) BRD4ACHEKMT2AOXTRAVPR1B
SCHEMBL6947175 0.84 POLB (0.42) ACHEKMT2AMEN1OXTRAVPR1B
SCHEMBL5065998 0.84 ACHE (0.42) BRD4ACHEKMT2AOXTRAVPR1B
SCHEMBL6172618 0.83 OXTR (0.48) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL4590188 0.82 OXTR (0.49) BRD4ACHEKMT2AMEN1OXTR
SCHEMBL4590101 0.81 OXTR (0.45) BRD4ACHEKMT2AMEN1OXTR

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-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 BRD4 2445/4885ACHE 4208/4885KMT2A 4115/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A BRD4 2256/4885ACHE 3533/4885KMT2A 3798/4885

“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.