SCHEMBL14701445

SCHEMBL14701445

CC(C)(Cc1cccc(C(F)(F)F)c1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
HTR2C P28335 6/20 0.51
HTR6 P50406 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.46
IDO1 P14902 2/20 0.44
HTR2B P41595 3/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TACR1 P25103 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 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
SCHEMBL14701465 0.86 IDO1 (0.46) SLC6A4SLC6A2HTR2CIDO1HTR2B
SCHEMBL12415411 0.82 HTT (0.41) SLC6A4SLC6A2HTR2CHTR6IDO1
SCHEMBL12415635 0.79 DAO (0.42) HTR2CIDO1HTR2BHTR2ATAAR1
SCHEMBL9978781 0.79 GBA1 (0.50) SLC6A4SLC6A2TAAR1MEN1KMT2A
SCHEMBL25991086 0.78 IDO1 (0.37) SLC6A4SLC6A2HTR2CIDO1HTR2B
SCHEMBL4097081 0.77 GBA1 (0.57) SLC6A4SLC6A2HTR2CHTR6DCUN1D1
Hydrochloric Acid SCHEMBL18280118 0.75 HTR2C (0.57) SLC6A4SLC6A2HTR2CHTR6DCUN1D1
SCHEMBL14701444 0.74 TACR1 (0.48) TACR1MEN1POLBKMT2A
SCHEMBL14701440 0.74 RBP4 (0.52) DCUN1D1MEN1POLBKMT2ASIGMAR1
SCHEMBL73993 0.73 HTR2A (0.58) SLC6A4HTR2CIDO1HTR2BHTR2A

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 SLC6A4 277/4885SLC6A2 474/4885HTR2C 248/4885

“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.