SCHEMBL4504656

SCHEMBL4504656

O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCOCC3=O)cc2)C1)c1ccc(Br)s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.64
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCB11 O95342 1/20 0.49
F2 P00734 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
ENPP2 Q13822 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4508917 0.91 F10 (0.53) F10TP53LMNATDP1HTT
SCHEMBL4515541 0.90 F10 (0.57) F10TP53LMNACYP1A2CYP3A4
SCHEMBL4510953 0.89 F10 (0.56) F10TP53LMNACYP1A2CYP3A4
SCHEMBL4507763 0.89 F10 (0.54) F10TP53LMNACYP1A2CYP3A4
SCHEMBL4492322 0.88 F10 (0.56) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4490933 0.88 F10 (0.57) F10TP53LMNACYP3A4CYP2C9
SCHEMBL4517220 0.88 F10 (0.66) F10TP53LMNACYP1A2CYP3A4
SCHEMBL4492727 0.88 F10 (0.57) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4491287 0.88 F10 (0.57) F10TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4506653 0.88 F10 (0.57) F10TP53CYP1A2CYP3A4CYP2D6

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 6 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-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
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 814/4885TP53 3367/4885LMNA 2329/4885

“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.