SCHEMBL10165378

SCHEMBL10165378

CC(C(=O)C(C)(C)C)n1ccc2cccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
FABP4 P15090 1/20 0.38
AR P10275 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.32
HTR2A P28223 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ACLY P53396 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL10203774 0.84 SLC6A2 (0.43) SLC6A2SLC6A4FABP4MAPTALDH1A1
SCHEMBL10165558 0.82 SLC6A2 (0.43) SLC6A2SLC6A4FABP4MAPTKDM4E
SCHEMBL11984793 0.80 SLC6A2 (0.44) SLC6A2SLC6A4FABP4ARMAPT
SCHEMBL14685790 0.76 SLC6A2 (0.46) SLC6A2SLC6A4FABP4HTR2A
SCHEMBL30723538 0.71 SLC6A2 (0.44) SLC6A2SLC6A4FABP4HTR2A
SCHEMBL10165551 0.70 AR (0.43) SLC6A2SLC6A4FABP4ARALDH1A1
SCHEMBL10165371 0.70 HTR2A (0.42) SLC6A2SLC6A4FABP4MAPTKMT2A
SCHEMBL10165448 0.69 KMT2A (0.41) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL10165383 0.67 GRIN2B (0.41) SLC6A2SLC6A4AR
SCHEMBL10165539 0.67 HTR2A (0.42) SLC6A2SLC6A4FABP4ARRAB9A

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 6 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
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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 (2 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 SLC6A2 222/4885SLC6A4 211/4885FABP4 4090/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B SLC6A2 222/4885SLC6A4 211/4885FABP4 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.