SCHEMBL5384441

SCHEMBL5384441

NC(CCC1CCOCC1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.38
ADORA2A P29274 1/20 0.38
KCNA5 P22460 3/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CFTR P13569 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
CHRM4 P08173 1/20 0.35
OPRL1 P41146 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5383680 1.00 ADORA2B (0.38) ADORA2BADORA2AKCNA5HSD17B10MAPT
SCHEMBL5384192 1.00 ADORA2B (0.38) ADORA2BADORA2AKCNA5HSD17B10MAPT
SCHEMBL14428529 0.86 ADORA2B (0.39) ADORA2BADORA2AKCNA5HSD17B10MAPT
SCHEMBL5383565 0.81 ADORA2B (0.40) ADORA2BADORA2AKCNA5HSD17B10MAPT
SCHEMBL5378828 0.76 SLC6A4 (0.42) KCNA5HSD17B10MAPTTSHRSLC6A2
SCHEMBL4048996 0.75 GAA (0.47) KCNA5HSD17B10ALDH1A1KDM4E
SCHEMBL14428530 0.75 CYP3A4 (0.36) ADORA2BADORA2AKCNA5HSD17B10SLC6A2
SCHEMBL31382691 0.74 OPRL1 (0.39) ADORA2ACSF1ROPRL1
SCHEMBL6689152 0.72 CHRNA7 (0.38) KCNA5HSD17B10MAPTTSHRSLC6A2
SCHEMBL6688396 0.72 CHRNA7 (0.38) KCNA5HSD17B10MAPTTSHRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release BENCHERIF MEROUANE 2007-08-09 US disclosed
US-7214686-B2 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. (US) 2007-05-08 US disclosed
US-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. 2004-11-04 US disclosed
EP-0994875-B1 3-PYRIDYL-1-AZABICYCLOALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS TARGACEPT INC (US) 2004-03-10 EP disclosed
US-6624173-B1 Characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia) treated by TARGACEPT, INC. 2003-09-23 US disclosed
US-6525065-B1 Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane TARGACEPT, INC. 2003-02-25 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 (2 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-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release COMT, SLC6A3, PARK7 ADORA2B 95/4885ADORA2A 22/4885KCNA5 2905/4885
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release COMT, SLC6A3, HTR2A ADORA2B 202/4885ADORA2A 44/4885KCNA5 3412/4885

“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.