SCHEMBL12415412

SCHEMBL12415412

CC(C)(C)OC(=O)N1CC[C@@H](C(C)(C)Cc2cccc(C(F)(F)F)c2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TACR1 P25103 2/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
GFER P55789 2/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL14701444 0.86 TACR1 (0.48) KMT2AMEN1TACR1POLB
SCHEMBL14701462 0.82 TACR1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1TACR1
SCHEMBL2188839 0.81 CACNA1B (0.52) KMT2APOLB
SCHEMBL12415413 0.78 GRM5 (0.44) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL1261272 0.75 KDM1A (0.40) SMN1; SMN2CHRM2CHRM3
SCHEMBL26984292 0.75 KDM1A (0.40) SMN1; SMN2CHRM2CHRM3
SCHEMBL14701440 0.74 RBP4 (0.52) KMT2AMEN1POLBSIGMAR1
SCHEMBL18280017 0.73 TGFBR1 (0.53) KMT2AMEN1TACR1
SCHEMBL12415411 0.73 HTT (0.41)
SCHEMBL13932903 0.73 CACNA1B (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D ALDH1A1 489/4885P2RX7 361/4885SMN1; SMN2 365/4885

“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.