SCHEMBL4834272

SCHEMBL4834272

COc1ccc2c(c1)CC(CC1CCNCC1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.60
CYP19A1 P11511 2/20 0.55
CYP24A1 Q07973 4/20 0.47
CYP26A1 O43174 2/20 0.47
CYP27A1 Q02318 2/20 0.47
ACHE P22303 4/20 0.47
HTR2B P41595 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
FAAH O00519 1/20 0.45
ABCC4 O15439 1/20 0.45
CACNA1F O60840 1/20 0.45
PDE5A O76074 1/20 0.45
ABCB11 O95342 1/20 0.45
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL4843083 0.90 METAP1 (0.58) METAP1CYP19A1ACHEHTR2BHTR2A
SCHEMBL1114944 0.82 ACHE (0.63) ACHEHTR2BFAAHABCC4CACNA1F
SCHEMBL29550221 0.82 ACHE (0.63) ACHEHTR2BFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4833887 0.81 ACHE (0.61) ACHEHTR2BFAAHABCC4CACNA1F
SCHEMBL28409784 0.81 ACHE (0.61) ACHEHTR2BFAAHABCC4CACNA1F
SCHEMBL15617638 0.80 METAP1 (0.70) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL14156625 0.79 ACHE (0.54) ACHEHTR2BFAAHABCC4CACNA1F
SCHEMBL4877278 0.79 ACHE (0.54) ACHEHTR2BFAAHABCC4CACNA1F
SCHEMBL14306761 0.78 METAP1 (0.72) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL251556 0.78 BCHE (0.76) ACHEHTR2BFAAHABCC4CACNA1F

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
US-7446203-B2 Preparation of intermediates for acetycholinesterase inhibitors HETERO DRUGS LIMITED (IN) 2008-11-04 US disclosed
EP-1654230-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS Hetero Drugs Limited (IN) 2006-05-10 EP disclosed
US-20060041140-A1 5,6-dimethoxy-2-(4-pyridyl)methyl-1-indanone is hydrogenated using platinum oxide catalyst in the presence of hydrochloric acid under a pressure of 2 bars to give 4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride HETERO DRUGS LIMITED (IN) 2006-02-23 US disclosed
WO-2005003092-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS HETERO DRUGS LIMITED (IN) 2005-01-13 WO 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-20060041140-A1 5,6-dimethoxy-2-(4-pyridyl)methyl-1-indanone is hydrogenated using platinum oxide catalyst in the presence of hydrochloric acid under a pressure of 2 bars to give 4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride ACHE, IDH2, IMPDH2 METAP1 78/4885CYP19A1 2625/4885CYP24A1 2884/4885

“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.