SCHEMBL10165539

SCHEMBL10165539

Cc1cccc2c1ccn2C(C)C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
FABP4 P15090 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
EZH2 Q15910 1/20 0.36
ATM Q13315 2/20 0.35
PRMT5 O14744 1/20 0.33
SLC9A1 P19634 1/20 0.33
NR3C2 P08235 2/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NOTUM Q6P988 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL31560786 0.83 HTR2A (0.45) HTR2AHTR2CFABP4SLC6A2SLC6A4
SCHEMBL10165548 0.82 HTR2A (0.41) HTR2AHTR2CFABP4SLC6A2SLC6A4
SCHEMBL10165537 0.79 KDM4E (0.32) SLC6A2SLC6A4NR3C2
SCHEMBL31560728 0.78 HTR2A (0.44) HTR2AHTR2CFABP4SLC6A2SLC6A4
SCHEMBL13090965 0.76 HTR2C (0.53) HTR2AHTR2CFABP4SLC6A2SLC6A4
SCHEMBL10165567 0.71 FABP4 (0.44) HTR2AHTR2CFABP4PRMT5SLC9A1
SCHEMBL10165371 0.71 HTR2A (0.42) HTR2AHTR2CFABP4SLC6A2SLC6A4
SCHEMBL13981028 0.70 ALDH1A1 (0.36) HTR2AHTR2CSLC6A2SLC6A4EZH2
SCHEMBL10165552 0.70 HTR2A (0.51) HTR2AHTR2CFABP4PRMT5RAB9A
SCHEMBL23714707 0.68 HTR2A (0.49) HTR2AHTR2CFABP4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B HTR2A 720/4885HTR2C 901/4885FABP4 4090/4885

“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.