SCHEMBL6203853

SCHEMBL6203853

COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.50
OXTR P30559 7/20 0.50
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 5/20 0.39
EPHX2 P34913 3/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2J2 P51589 1/20 0.37

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
SCHEMBL6202207 0.93 AVPR2 (0.48) AVPR2OXTRALDH1A1P2RX7EPHX2
SCHEMBL6202917 0.93 AVPR2 (0.48) AVPR2OXTRALDH1A1P2RX7EPHX2
SCHEMBL6199880 0.82 AVPR2 (0.52) AVPR2OXTRALDH1A1P2RX7EPHX2
SCHEMBL6203570 0.82 AVPR2 (0.52) AVPR2OXTRALDH1A1P2RX7EPHX2
SCHEMBL6202959 0.76 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6202921 0.74 EPHX2 (0.37) ALDH1A1P2RX7EPHX2NR1H4CYP2C9
SCHEMBL6203139 0.71 AVPR2 (0.81) AVPR2OXTR
SCHEMBL6202640 0.71 AVPR2 (0.81) AVPR2OXTR
SCHEMBL12231188 0.70 EPHX2 (0.50) ALDH1A1EPHX2NR1H4
SCHEMBL7921977 0.68 UCHL1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 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-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR AVPR2 10/4885OXTR 1/4885ALDH1A1 3533/4885

“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.