SCHEMBL4510291

SCHEMBL4510291

CO[C@H]1C(=O)N(c2ccc(N3CCOCCC3=O)c(C)c2)CC1NC(=O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4510290 1.00 F10 (0.47) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4492482 0.94 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4516534 0.93 F10 (0.46) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4516536 0.92 F10 (0.47) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4505523 0.90 F10 (0.50) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4505526 0.90 F10 (0.50) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4505578 0.90 F10 (0.48) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4505576 0.90 F10 (0.48) F10HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4502528 0.89 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4515930 0.85 F10 (0.55) F10CYP3A4CYP2C9

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 4 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 claimed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US claimed
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 814/4885HTT 2738/4885CYP1A2 880/4885

“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.