SCHEMBL13640696

SCHEMBL13640696

O=C(N[C@@H]1CCC[C@H]1O)/C(O)=C/C(=O)c1cc(Cc2ccc(F)cc2)cn(Cc2ccccc2F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
CHRM1 P11229 13/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41

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
SCHEMBL13585638 1.00 BRD4 (0.45) BRD4CHRM1CNR1CNR2
SCHEMBL13585800 1.00 BRD4 (0.45) BRD4CHRM1CNR1CNR2
SCHEMBL13585109 1.00 BRD4 (0.45) BRD4CHRM1CNR1CNR2
SCHEMBL13585641 1.00 BRD4 (0.45) BRD4CHRM1CNR1CNR2
SCHEMBL13640668 1.00 BRD4 (0.45) BRD4CHRM1CNR1CNR2
SCHEMBL13585084 0.93 BRD4 (0.43) BRD4CHRM1CNR1CNR2
SCHEMBL13640653 0.93 BRD4 (0.43) BRD4CHRM1CNR1CNR2
SCHEMBL2041586 0.93 BRD4 (0.43) BRD4CHRM1CNR1CNR2
SCHEMBL13584781 0.93 BRD4 (0.43) BRD4CHRM1CNR1CNR2
SCHEMBL13640237 0.93 BRD4 (0.43) BRD4CHRM1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP disclosed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 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-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC BRD4 960/4885CHRM1 2122/4885CNR1 3744/4885

“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.