SCHEMBL3558684

SCHEMBL3558684

C[C@@H](c1ccc(C2CCN(C(=O)C(F)(F)F)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.43
P2RY14 Q15391 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM1A O60341 1/20 0.38
DPP4 P27487 6/20 0.38
DPP7 Q9UHL4 6/20 0.38
CCR1 P32246 2/20 0.38
DPP9 Q86TI2 1/20 0.38
LIPE Q05469 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
DPP8 Q6V1X1 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
SCHEMBL2200188 0.85 KDM1A (0.38) KCNH2KDM1ADPP4DPP7DPP9
SCHEMBL3554859 0.81 MAPK1 (0.44) DPP4DPP7
SCHEMBL3549751 0.76 NAMPT (0.43) NAMPTKCNH2HRH3CCR1
SCHEMBL20705482 0.75 RAB9A (0.50) NAMPTP2RY14TLR9TLR8TLR7
SCHEMBL571141 0.74 KDM1A (0.60) P2RY14KCNH2HRH3KDM1A
SCHEMBL2199011 0.74 TSHR (0.37)
SCHEMBL2197316 0.74 TSHR (0.37)
SCHEMBL15254117 0.73 P2RY14 (0.56) NAMPTP2RY14TLR9TLR8TLR7
SCHEMBL3554678 0.73 MAPK1 (0.43) CYP2C9
SCHEMBL10243175 0.72 MAPT (0.50) NAMPTP2RY14TLR9TLR8TLR7

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A NAMPT 3577/4885P2RY14 2558/4885TLR9 1498/4885

“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.