SCHEMBL6174449

SCHEMBL6174449

CC(C)(N)COc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MAOB P27338 5/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAP4K4 O95819 1/20 0.41
SCN4A P35499 2/20 0.41
SSTR4 P31391 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARA Q07869 2/20 0.40
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL7868631 0.98 SLC6A2 (0.48) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL799930 0.83 MAOB (0.42) HTR2AMAOBCYP1A2CYP2C19CYP2C9
SCHEMBL777299 0.81 TDP1 (0.56) MAOBNPC1RAB9ACYP3A4MAPT
SCHEMBL6174994 0.81 CA12 (0.48) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL3819632 0.80 ALDH3A1 (0.41) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10636671 0.79 MEN1 (0.45) HTR2AMAOBCYP1A2CYP2C19MAP4K4
Hydrochloric Acid SCHEMBL775512 0.79 TDP1 (0.54) MAOBNPC1RAB9ACYP3A4MAPT
Hydrochloric Acid SCHEMBL2960337 0.79 TDP1 (0.54) MAOBNPC1RAB9ACYP3A4MAPT
SCHEMBL16025277 0.79 NQO1 (0.36) SLC6A2MAOBCYP1A2RAB9AMEN1
SCHEMBL7877126 0.79 MAOB (0.44) MAOBCYP1A2CYP2C19RAB9ASSTR4

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 SLC6A2 1680/4885HTR2A 196/4885SLC6A4 1413/4885

“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.