SCHEMBL3285266

SCHEMBL3285266

COc1ccccc1C(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 2/20 0.51
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.47
SCN4A P35499 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CYP1A2 P05177 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL7040353 0.84 CYP1A2 (0.49) CYP2D6CYP2C19TAAR1SLC6A4CYP1A2
SCHEMBL7039235 0.82 CYP2D6 (0.41) CYP2D6CYP2C19SLC6A2TAAR1MAOA
SCHEMBL12706123 0.81 IDO1 (0.52) CYP2D6SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL5667378 0.79 CYP2D6 (0.56) CYP2D6CYP2C19IDO1TDO2CYP1A2
SCHEMBL1473451 0.79 CA1 (0.48) TAAR1IDO1TDO2
SCHEMBL27706101 0.79 CA1 (0.48) TAAR1IDO1TDO2
SCHEMBL30317538 0.79 CA1 (0.48) TAAR1IDO1TDO2
SCHEMBL27993537 0.78 CYP2D6 (0.51) CYP2D6CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL15797722 0.77 AGTR1 (0.49) TAAR1IDO1TDO2CYP1A2
SCHEMBL11323357 0.77 SLC6A2 (0.52) CYP2D6SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 US disclosed
CN-1109050-A Catecholamine surrogates useful as beta3 agonists BRISTOL MYERS SQUIBB CO (US) 1995-09-27 CN 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R CYP2D6 4146/4885CYP2C19 4141/4885SLC6A2 716/4885

“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.