SCHEMBL13850677

SCHEMBL13850677

CC1C2CC(CC1c1cnc3ccccc3c1)N(Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.35
CHRM4 P08173 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
FAAH O00519 1/20 0.35
CFTR P13569 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
DOCK5 Q9H7D0 1/20 0.33

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
SCHEMBL8039239 0.78 TP53 (0.53) KDM1AMAOAMAOBMAPT
SCHEMBL8045006 0.70 SLC6A4 (0.47) SLC6A4CHRNB2CHRNA4
SCHEMBL13849999 0.69 CHRNB2 (0.40) SLC6A4KDM1AMAOAMAOBCHRNB2
SCHEMBL2135495 0.65 SLC6A4 (0.52) SLC6A4KDM1AMAOAMAOBCFTR
SCHEMBL2135499 0.65 SLC6A4 (0.52) SLC6A4KDM1AMAOAMAOBCFTR
SCHEMBL10288441 0.65 SLC6A4 (0.52) SLC6A4KDM1AMAOAMAOBCFTR
SCHEMBL6354836 0.64 CHRNA7 (0.55) SLC6A4CHRM4
SCHEMBL10635883 0.64 MAPT (0.43) MAPTCHRM4
SCHEMBL731775 0.64 MAPT (0.54) MAPT
SCHEMBL25005282 0.64 SLC6A4 (0.57) SLC6A4KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators CHRNA10, CHRNA6, CHRNA5 SLC6A4 1198/4885KDM1A 519/4885MAOA 250/4885

“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.