SCHEMBL661904

SCHEMBL661904

CCCCc1nc(C)n(-c2ccccn2)c(=O)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 2/20 0.37
DHFR P00374 1/20 0.36
CCR2 P41597 1/20 0.36
CCR5 P51681 1/20 0.36
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL661110 0.95 DPP4 (0.41) DPP4KDM4EDHFRCCR2CYBB
SCHEMBL660793 0.92 DPP4 (0.40) DPP4KDM4EDHFRCYBBNOX4
SCHEMBL660591 0.85 DPP4 (0.35) DPP4KDM4ECCR2CCR5CYBB
SCHEMBL664828 0.84 DPP4 (0.33) DPP4KDM4ECYBBNOX4NOX1
SCHEMBL660214 0.83 PPARG (0.46)
SCHEMBL666226 0.83 PPARD (0.35) DPP4KDM4ECCR2CCR5
SCHEMBL667431 0.82 PPARG (0.39)
SCHEMBL666225 0.82 PPARG (0.41)
SCHEMBL670038 0.81 CCR2 (0.36) DPP4KDM4ECCR2CCR5
SCHEMBL671035 0.81 KDM4E (0.38) DPP4KDM4EDHFRCCR2CYBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD DPP4 797/4885KDM4E 3100/4885DHFR 2581/4885

“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.