SCHEMBL7092416

SCHEMBL7092416

CON=C1C[C@@H](C(=O)NC[C@H](O)c2cccc(O)c2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.85
AVPR1A P37288 5/20 0.85
CHRNA7 P36544 1/20 0.34
AVPR2 P30518 2/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
HIF1A Q16665 2/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD1 P21728 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL7162141 0.93 OXTR (0.73) OXTRAVPR1ACHRNA7AVPR2ADRB1
SCHEMBL5478504 0.92 OXTR (0.72) OXTRAVPR1ACHRNA7ADRB1ADRB3
SCHEMBL5478502 0.92 OXTR (0.72) OXTRAVPR1ACHRNA7ADRB1ADRB3
SCHEMBL4936354 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL4936174 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL4940385 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL4942975 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL4943198 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL5743785 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1
SCHEMBL5743780 0.92 OXTR (1.00) OXTRAVPR1AAVPR2ROCK2ROCK1

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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR OXTR 1/4885AVPR1A 203/4885CHRNA7 139/4885

“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.