SCHEMBL6173073

SCHEMBL6173073

NCc1ccccc1C(F)(F)CF

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
PNMT P11086 3/20 0.40
MAOB P27338 3/20 0.39
DPP4 P27487 2/20 0.38
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LOXL2 Q9Y4K0 2/20 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
SCHEMBL43013 0.80 IDO1 (0.61) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL9608984 0.79 GABRA1 (0.41) IDO1MAOBALDH1A1POLB
Methane SCHEMBL27580279 0.78 IDO1 (0.59) IDO1PNMTMAOBDPP4ALDH1A1
Hydrochloric Acid SCHEMBL6169962 0.78 IDO1 (0.62) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL26748088 0.77 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL2095080 0.77 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL7539869 0.77 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
Ethane SCHEMBL27580262 0.77 IDO1 (0.57) IDO1PNMTMAOBALDH1A1POLB
SCHEMBL8404393 0.75 PNMT (0.48) IDO1PNMTMAOBDPP4TAAR1
SCHEMBL5517287 0.75 ALDH1A1 (0.40) IDO1ALDH1A1

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
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 IDO1 2549/4885PNMT 603/4885MAOB 1529/4885

“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.