SCHEMBL48241

SCHEMBL48241

CCc1ccc(Cc2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
TP53 P04637 1/20 0.46
IDO1 P14902 3/20 0.45
PNMT P11086 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AOC3 Q16853 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
SCHEMBL3438629 0.83 TAAR1 (0.47) TAAR1TP53IDO1PNMTSLC6A2
SCHEMBL3814505 0.83 MEN1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL3357458 0.83 CALM1 (0.55) TAAR1IDO1PNMTMEN1KMT2A
SCHEMBL4423210 0.82 SIGMAR1 (0.53) TAAR1IDO1PNMTMEN1KMT2A
SCHEMBL22852737 0.82 TAAR1 (0.50) TAAR1TP53IDO1PNMTSLC6A2
SCHEMBL3622807 0.80 MEN1 (0.66) SLC5A1SLC5A2MEN1KMT2A
SCHEMBL8752818 0.79 SMN1; SMN2 (0.47) TAAR1IDO1PNMT
SCHEMBL21186239 0.79 ALDH1A1 (0.52) TAAR1IDO1PNMT
SCHEMBL2089904 0.79 KDM4E (0.53) TAAR1TP53IDO1PNMTSLC6A2
SCHEMBL6299177 0.79 KEAP1 (0.64) TP53IDO1PNMTSLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230907-B1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-05-09 EP disclosed
US-8129434-B2 Benzylphenyl cyclohexane derivatives and methods of use THERACOS, INC. (US) 2012-03-06 US disclosed
US-8129434-B2 Benzylphenyl cyclohexane derivatives and methods of use THERACOS, INC. (US) 2012-03-06 US disclosed
US-7589193-B2 C-aryl glucoside SGLT2 inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589193-B2 C-aryl glucoside SGLT2 inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-20090156516-A1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE SEED, BRIAN 2009-06-18 US disclosed
US-20090156516-A1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE SEED, BRIAN 2009-06-18 US disclosed
WO-2009076550-A1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-06-18 WO disclosed
EP-1791852-B1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP 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-20090156516-A1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A8 TAAR1 3234/4885TP53 4848/4885IDO1 2993/4885

“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.