SCHEMBL4490845

SCHEMBL4490845

COC[C@@H]1C(=O)N(c2ccc(N3CCOCC3=O)cc2)C[C@@H]1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.58
▸ F2 P00734 2/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ ST14 Q9Y5Y6 1/20 0.58
▸ PTGS2 P35354 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2J2 P51589 1/20 0.48

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
SCHEMBL13632180 1.00 F10 (0.58) F10F2ABCB11ST14PTGS2
SCHEMBL13632181 0.91 F10 (0.57) F10F2ABCB11ST14
SCHEMBL4516592 0.91 F10 (0.57) F10F2ABCB11ST14
SCHEMBL4509377 0.81 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4500387 0.81 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13632178 0.81 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4516746 0.79 F10 (0.54) F10F2ABCB11ST14CYP3A4
SCHEMBL5631625 0.79 F10 (0.65) F10F2ABCB11ST14
SCHEMBL5432804 0.79 F10 (0.65) F10F2ABCB11ST14
SCHEMBL4504965 0.78 F10 (0.53) F10F2ABCB11ST14CYP3A4

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
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 — — 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-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD F10 814/4885F2 405/4885ABCB11 79/4885

“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.

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