SCHEMBL12415411

SCHEMBL12415411

CC(C)(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCNC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
DAO P14920 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
NR3C1 P04150 3/20 0.39
IDO1 P14902 2/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL12415635 0.90 DAO (0.42) HTTDAONR3C1IDO1HTR2A
SCHEMBL14701445 0.82 SLC6A4 (0.54) SLC6A2SLC6A4IDO1HTR6HTR2A
SCHEMBL14701465 0.77 IDO1 (0.46) DAOSLC6A2SLC6A4IDO1HTR2A
SCHEMBL12507399 0.76 HTR2C (0.36) HTR6HTR2C
SCHEMBL1722197 0.76 CYP3A4 (0.46) HTR6
SCHEMBL2189585 0.76 CYP3A4 (0.46) HTR6
SCHEMBL1722765 0.76 CYP3A4 (0.46) HTR6
SCHEMBL12415413 0.73 GRM5 (0.44) HTT
SCHEMBL12415412 0.73 ALDH1A1 (0.41)
SCHEMBL12415632 0.71 MAPT (0.52) HTT

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 HTT 1972/4885DAO 1201/4885SLC6A2 474/4885

“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.