SCHEMBL6173076

SCHEMBL6173076

NCc1ccccc1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
DPP4 P27487 2/20 0.41
TAAR1 Q96RJ0 4/20 0.38
IDO1 P14902 2/20 0.36
MAOB P27338 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11717665 0.87 IDO1 (0.38) PNMTTAAR1IDO1KDM4E
SCHEMBL15247 0.79 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL29405036 0.79 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL8506507 0.76 IDO1 (0.32) IDO1
SCHEMBL8830195 0.76 FDPS (0.50) TAAR1IDO1SMN1; SMN2
SCHEMBL22969779 0.76 GABRA1 (0.46)
SCHEMBL396630 0.76 RIPK1 (0.47) PNMTDPP4TAAR1LOXL2
SCHEMBL7847384 0.76 TRPA1 (0.35) IDO1
Benzene SCHEMBL734438 0.76 DPP4 (0.62) PNMTDPP4TAAR1LOXL2CYP2A6
Water SCHEMBL7618285 0.76 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6

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-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
EP-1556373-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-07-27 EP disclosed
WO-2004035566-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-04-29 WO disclosed
US-20040077650-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-04-22 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-20040077650-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PNMT 603/4885DPP4 3943/4885TAAR1 100/4885

“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.