SCHEMBL2358438

SCHEMBL2358438

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SPR P35270 1/20 0.37
RORC P51449 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL2534847 0.93 DPP7 (0.40) CCR2CHRM2CHRM3
SCHEMBL2356811 0.91 ALDH1A1 (0.43) CCR2ALDH1A1ESR1ESR2L3MBTL1
SCHEMBL2358361 0.86 ALDH1A1 (0.44) CCR2ALDH1A1ESR1ESR2MEN1
SCHEMBL2358924 0.85 L3MBTL1 (0.53) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2538820 0.84 DPP7 (0.41) ALDH1A1
SCHEMBL2538027 0.77 KDM1A (0.42) CCR2CHRM2CHRM3ESR1ESR2
SCHEMBL2538233 0.77 CHRM2 (0.41) CHRM2CHRM3ALDH1A1
SCHEMBL2359030 0.76 MEN1 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL2538920 0.76 FAAH (0.48) ALDH1A1MEN1KMT2A
SCHEMBL2538803 0.74 NAMPT (0.40) ALDH1A1

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 8 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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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 CCR2 2742/4885CHRM2 115/4885CHRM3 220/4885

“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.