SCHEMBL2545563

SCHEMBL2545563

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.43
NAMPT P43490 1/20 0.43
TSHR P16473 2/20 0.43
FSHR P23945 2/20 0.43
TACR1 P25103 1/20 0.43
CHRM4 P08173 1/20 0.43
TP53 P04637 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
DPP4 P27487 1/20 0.41
OPRM1 P35372 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2309381 0.91 POLB (0.54) POLBMEN1KMT2ALMNATACR1
SCHEMBL2313161 0.82 HDAC6 (0.47) POLBLMNATACR1TP53KDM4E
SCHEMBL2308339 0.80 FAAH (0.46) POLBMEN1KMT2ALMNATACR1
SCHEMBL2309233 0.80 SIGMAR1 (0.67) CHRM4SIGMAR1
SCHEMBL2543025 0.79 HPGD (0.53) POLBMEN1KMT2ALMNATSHR
SCHEMBL2310295 0.78 FAAH (0.55) POLBMEN1KMT2ALMNATACR1
SCHEMBL2363774 0.78 SIGMAR1 (0.54) CHRM4SIGMAR1
SCHEMBL2538478 0.77 CACNA1B (0.56) POLBCHRM4SIGMAR1
SCHEMBL2536831 0.77 CACNA1B (0.56) POLBCHRM4SIGMAR1
SCHEMBL2536834 0.77 CACNA1B (0.56) POLBCHRM4SIGMAR1

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 POLB 4591/4885MEN1 1085/4885KMT2A 3931/4885

“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.