SCHEMBL14701462

SCHEMBL14701462

CC(C)(C)OC(=O)N1CC(C(C)(C)Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 3/20 0.43
EPHX1 P07099 3/20 0.42
S1PR1 P21453 2/20 0.42
S1PR5 Q9H228 2/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
TEAD1 P28347 3/20 0.41
PDGFRA P16234 1/20 0.41
NPC1 O15118 1/20 0.40
TGFBR1 P36897 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.89 TACR1 (0.48) TACR1MEN1KMT2ATEAD1TGFBR1
SCHEMBL12415412 0.82 ALDH1A1 (0.41) TACR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24168673 0.82 MGLL (0.50) TACR1MEN1KMT2ARORCS1PR1
SCHEMBL30334881 0.82 MGLL (0.50) TACR1MEN1KMT2ARORCS1PR1
SCHEMBL30334922 0.81 TEAD1 (0.60) TACR1MEN1KMT2ATEAD1NPC1
SCHEMBL26215470 0.81 TEAD1 (0.60) TACR1MEN1KMT2ATEAD1NPC1
SCHEMBL14701461 0.80 TACR1 (0.48) TACR1MEN1KMT2ARORCEPHX1
SCHEMBL21896201 0.78 MGLL (0.61) TACR1MEN1KMT2ARORCS1PR1
SCHEMBL31168855 0.78 MGLL (0.61) TACR1MEN1KMT2ARORCS1PR1
SCHEMBL19406085 0.78 ABHD6 (0.52) TACR1MEN1KMT2ARORC

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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D TACR1 889/4885MEN1 3564/4885KMT2A 2427/4885

“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.