SCHEMBL3306087

SCHEMBL3306087

CN(C(=O)[C@@H]1CCC(=O)N1C(F)(F)F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLQ O75417 10/20 0.46
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
NR1H3 Q13133 1/20 0.36
FASN P49327 1/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL18554231 0.73 ACE (0.41) P2RX7
SCHEMBL3710388 0.71 LMNA (0.53) POLQPKMLMNAFASN
SCHEMBL31611107 0.69 CCR3 (0.42) POLQPKMP2RX7
SCHEMBL9001880 0.68 HTT (0.59) PKMTSHRLMNAFASN
SCHEMBL1522068 0.68 HTT (0.59) PKMTSHRLMNAFASN
SCHEMBL2312935 0.68 LMNA (0.49) PKMLMNAFASN
SCHEMBL9001877 0.67 PKM (0.58) PKMLMNAFASNALDH1A1
SCHEMBL24230531 0.66 UCHL1 (0.46) PKMLMNA
SCHEMBL13350264 0.66 PKM (0.49) PKMLMNAFASN
SCHEMBL17213398 0.66 PKM (0.49) PKMLMNAFASN

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
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20100113443-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (US) 2010-05-06 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (2 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 POLQ 3870/4885PKM 1373/4885ALOX15 331/4885
US-20100113443-A1 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS PLA2G4B, PLA2G4A, PLA2G1B POLQ 3124/4885PKM 1704/4885ALOX15 82/4885

“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.