SCHEMBL1449397

SCHEMBL1449397

CN1C2CCCCC1CN(c1nnccc1-c1cc3ccccc3o1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.45
VCP P55072 1/20 0.42
CNR2 P34972 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL2677282 0.98 FAAH (0.44) FAAHVCPCNR2MAOAMAOB
SCHEMBL928528 0.84 HPGD (0.41) FAAHVCPCNR2MAOAMAOB
SCHEMBL1449396 0.76 CNR2 (0.61) FAAHVCPCNR2NPC1HPGD
Trifluoroacetic Acid SCHEMBL1793368 0.75 SMN1; SMN2 (0.37) FAAHMAOAMAOBNPC1HPGD
SCHEMBL2677280 0.74 CNR2 (0.61) FAAHVCPCNR2NPC1HPGD
SCHEMBL2677219 0.73 FAAH (0.46) FAAHCNR2NPC1HPGDRAB9A
SCHEMBL2677660 0.69 RAB9A (0.36) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL61411 0.68 MAOB (0.71) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL12854020 0.68 MAOB (0.71) MAOAMAOBNPC1HPGDRAB9A
Benzene SCHEMBL1449616 0.68

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-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 US disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 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-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 FAAH 628/4885VCP 1853/4885CNR2 14/4885

“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.