SCHEMBL10123951

SCHEMBL10123951

CCN(CCNCCN)CCNCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.58
CYP2C9 P11712 3/20 0.58
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RECQL P46063 2/20 0.50
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA5A P35218 4/20 0.48
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
CA3 P07451 3/20 0.48
ALOX15 P16050 3/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10123924 0.95 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL323463 0.95 CYP2C19 (0.58) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL8350386 0.93 CYP2C19 (0.52) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL10123895 0.93 CYP2C19 (0.52) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL24193268 0.93 CYP2C19 (0.52) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL30607521 0.93 CYP2C19 (0.56) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL11871853 0.93 CYP2C19 (0.56) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL22404850 0.91 CYP2C19 (0.50) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL13827089 0.89 CYP2C9 (0.48) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL13827055 0.89 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA6CA7

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 CYP2C19 653/4885CYP2C9 633/4885CA12 649/4885

“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.