SCHEMBL2544041

SCHEMBL2544041

CC(CNC(=O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
OPRL1 P41146 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.37
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NPC1L1 Q9UHC9 2/20 0.36
CACNA1G O43497 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
SCHEMBL2544151 0.93 OPRM1 (0.39) OPRL1KDM4EOPRM1PPARGNR2E3
SCHEMBL2543128 0.86 OPRM1 (0.40) OPRL1TSHRKDM4EOPRM1PPARG
SCHEMBL2310361 0.81 TP53 (0.57) SMN1; SMN2TP53TSHRHPGDALDH1A1
SCHEMBL2306003 0.76 HSD11B1 (0.43) SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL2543025 0.74 HPGD (0.53) SMN1; SMN2TSHRHPGDKDM4EALDH1A1
SCHEMBL2543834 0.74 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2313161 0.74 HDAC6 (0.47) TP53HPGDKDM4EALDH1A1
SCHEMBL2309381 0.73 POLB (0.54) ALDH1A1
SCHEMBL2380375 0.73 SMN1; SMN2 (0.41) SMN1; SMN2TP53TSHRALDH1A1CACNA1G
SCHEMBL2545925 0.72 CACNA1G (0.54) CACNA1G

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 SMN1; SMN2 756/4885OPRL1 152/4885TP53 4054/4885

“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.