SCHEMBL2534847

SCHEMBL2534847

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.40
NAMPT P43490 2/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
DPP4 P27487 3/20 0.37
FAP Q12884 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
S1PR2 O95136 1/20 0.36
CCR2 P41597 2/20 0.36
MOGAT2 Q3SYC2 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL2358438 0.93 CCR2 (0.41) CHRM2CHRM3CCR2
SCHEMBL2538820 0.91 DPP7 (0.41) DPP7NAMPTDPP4FAP
SCHEMBL2356811 0.84 ALDH1A1 (0.43) CCR2
SCHEMBL2538233 0.83 CHRM2 (0.41) DPP7NAMPTDPP4CHRM2CHRM3
SCHEMBL2538803 0.80 NAMPT (0.40) DPP7NAMPTDPP4FAP
SCHEMBL2358924 0.79 L3MBTL1 (0.53)
SCHEMBL2358361 0.79 ALDH1A1 (0.44) CCR2
SCHEMBL2538920 0.78 FAAH (0.48)
SCHEMBL2310708 0.76 GPR183 (0.49)
SCHEMBL2380625 0.76 ALDH1A1 (0.41) DRD2DRD3CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D DPP7 4256/4885NAMPT 4012/4885DRD2 890/4885

“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.