SCHEMBL4655004

SCHEMBL4655004

CCc1cnc(Nc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.52
▸ CHRNA7 P36544 7/20 0.52
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ ABL1 P00519 3/20 0.48
▸ BCR P11274 3/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ TDO2 P48775 1/20 0.45

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
SCHEMBL14800904 0.87 CTSC (0.54) CTSCCHRNA7KCNH2SCN5ASCN9A
SCHEMBL20267818 0.81 CTSC (0.54) CTSCCHRNA7KCNH2SCN5ASCN9A
SCHEMBL14411849 0.81 KCNH3 (0.43) KCNH2SCN9ADHODHTDO2
SCHEMBL24866863 0.78 TDO2 (0.53) CTSCCHRNA7KCNH2SCN5ASCN9A
SCHEMBL9062115 0.76 RXRA (0.48) CHRNA7KCNH2SCN5ASCN9ARXRA
SCHEMBL20267833 0.76 CTSC (0.45) CTSCCHRNA7KCNH2SCN5ASCN9A
SCHEMBL28396861 0.75 NPC1 (0.51) CTSCKCNH2SCN5ASCN9AABL1
SCHEMBL3647348 0.75 CDK4 (0.50) CHRNA7
SCHEMBL21755169 0.75 HDAC6 (0.49) TP53MAPT
SCHEMBL9062321 0.75 RXRA (0.47) CHRNA7KCNH2SCN5ASCN9ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 — — EP disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 — — WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 — — US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 — — US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 — — 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD CTSC 1014/4885CHRNA7 1534/4885KCNH2 3743/4885

“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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