SCHEMBL7215364

SCHEMBL7215364

CCc1cccc(CC)c1-c1ccc(C(=O)N2CC(=NOC)C[C@H]2C(=O)NCCc2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.53
AVPR1A P37288 3/20 0.49
CFTR P13569 5/20 0.35
POLB P06746 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4941903 0.91 OXTR (0.56) OXTRAVPR1ACFTRPOLBTLR2
SCHEMBL4942161 0.83 OXTR (0.54) OXTRAVPR1AATMSMN1; SMN2
SCHEMBL5742340 0.80 OXTR (0.67) OXTRAVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL4949347 0.79 OXTR (0.58) OXTRAVPR1AATMMEN1KMT2A
SCHEMBL4942676 0.79 OXTR (0.73) OXTRAVPR1APOLBATMMEN1
SCHEMBL5759282 0.79 OXTR (0.73) OXTRAVPR1APOLBATMMEN1
SCHEMBL4938849 0.77 OXTR (0.59) OXTRAVPR1AKMT2ASMN1; SMN2
SCHEMBL7086784 0.76 OXTR (0.74) OXTRAVPR1AMEN1KMT2A
SCHEMBL4944329 0.76 OXTR (0.73) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4939162 0.76 OXTR (0.73) OXTRAVPR1APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US claimed

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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885CFTR 899/4885

“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.