SCHEMBL7219611

SCHEMBL7219611

CON=C1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)c(Cl)c2)C1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.79
AVPR1A P37288 3/20 0.74
ROCK2 O75116 5/20 0.38
ROCK1 Q13464 5/20 0.38
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
CFTR P13569 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR2 O15552 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7083271 0.91 OXTR (0.83) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4942430 0.91 OXTR (0.83) OXTRAVPR1AROCK2ROCK1FFAR2
SCHEMBL4945458 0.91 OXTR (0.83) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL7089781 0.88 OXTR (0.75) OXTRAVPR1AROCK2ROCK1FFAR2
SCHEMBL4944776 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4936262 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4936835 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4945256 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4945247 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1
SCHEMBL4944386 0.88 OXTR (1.00) OXTRAVPR1AROCK2ROCK1ADRB1

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 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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885ROCK2 3744/4885

“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.