SCHEMBL3268488

SCHEMBL3268488

CCCCNCc1ccccc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 16/20 0.78
BCHE P06276 5/20 0.78
ACHE P22303 5/20 0.78
CHRM4 P08173 5/20 0.78
CHRM5 P08912 5/20 0.78
CHRM1 P11229 5/20 0.78
CHRM3 P20309 5/20 0.78
GRIN1 Q05586 4/20 0.78
GRIN2A Q12879 4/20 0.78
RECQL P46063 2/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
TSHR P16473 1/20 0.78
THPO P40225 1/20 0.78
MEN1 O00255 1/20 0.76
POLB P06746 1/20 0.76
MAPT P10636 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76

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 SCHEMBL7547505 0.92 CHRM2 (0.85) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL8138468 0.89 CHRM2 (0.72) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL29456771 0.88 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
Hydrochloric Acid SCHEMBL9351001 0.88 CHRM2 (0.73) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL31138865 0.88 CHRM2 (0.93) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL11982296 0.88 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
Hydrochloric Acid SCHEMBL4354687 0.88 CHRM2 (0.73) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918396 0.87 CHRM2 (0.79) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL31061008 0.86 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4913173 0.85 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5

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
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US disclosed
CN-100439332-C Novel thiourea derivatives and the pharmaceutical compositions containing thd same PACFIC CORP (KR) 2008-12-03 CN disclosed
CN-1418191-A Novel thiourea derivatives and pharmaceutical compositions containing the same PACFIC CORP (KR) 2003-05-14 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-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA CHRM2 201/4885BCHE 26/4885ACHE 86/4885

“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.