SCHEMBL10123862

SCHEMBL10123862

CCN1CCCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
MAPK1 P28482 1/20 0.57
OPRK1 P41145 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC29A1 Q99808 1/20 0.55
MCHR1 Q99705 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL11306960 0.85 MCHR1 (0.69) MCHR1
SCHEMBL21928911 0.82 MAPK1 (0.58) TSHRMAPK1OPRK1MEN1KMT2A
SCHEMBL10108811 0.82 MAPK1 (0.58) TSHRABCG2MAPK1OPRK1SMN1; SMN2
SCHEMBL21834930 0.82 MAPK1 (0.58) TSHRABCG2MAPK1OPRK1SMN1; SMN2
SCHEMBL21034369 0.80 MAPK1 (0.56) TSHRABCG2MAPK1OPRK1SMN1; SMN2
SCHEMBL3140700 0.79 POLB (0.77) TSHRMAPK1OPRK1MEN1KMT2A
SCHEMBL21033834 0.79 MAPK1 (0.55) TSHRABCG2MAPK1OPRK1MEN1
SCHEMBL22475325 0.79 MAPK1 (0.55) TSHRABCG2MAPK1OPRK1SMN1; SMN2
SCHEMBL11395220 0.79 MCHR1 (0.77) MCHR1
SCHEMBL21834879 0.79 MAPK1 (0.52) TSHRABCG2MAPK1OPRK1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT TSHR 2882/4885ABCG2 1229/4885MAPK1 3163/4885

“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.