SCHEMBL5389893

SCHEMBL5389893

Nc1cncc(C2CC3CCN2CC3)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNA7 P36544 3/20 0.55
CHRNA1 P02708 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA2 Q15822 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
Hydrochloric Acid SCHEMBL5382193 0.98 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
SCHEMBL5373771 0.80 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7225743 0.73 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
SCHEMBL7221390 0.73 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1831991 0.72 CHRNB4 (0.62) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
SCHEMBL1831992 0.72 CHRNB4 (0.62) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
Hydrochloric Acid SCHEMBL5373350 0.72 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5382186 0.72 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
SCHEMBL29376765 0.71 CHRNA7 (1.00) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4
SCHEMBL195154 0.71 CHRNA7 (1.00) CHRNB2CHRNA4CHRNA7CHRNA1CHRNB4

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 8 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
EP-0994875-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-26 EP disclosed
WO-1999000385-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-01-07 WO 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 CHRNB2 16/4885CHRNA4 74/4885CHRNA7 27/4885
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release COMT, SLC6A3, HTR2A CHRNB2 22/4885CHRNA4 82/4885CHRNA7 38/4885

“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.