SCHEMBL5373716

SCHEMBL5373716

ON=C(CCC1CCOCC1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LDLR P01130 2/20 0.39
GAA P10253 1/20 0.38
FYN P06241 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL5373712 1.00 ALDH1A1 (0.46) ALDH1A1LDLRGAAFYNCTNNB1
SCHEMBL5378862 0.81 CTNNB1 (0.52) ALDH1A1LDLRGAACTNNB1WNT3A
SCHEMBL23428914 0.78 ALDH1A1 (0.49) ALDH1A1LDLRGAASMN1; SMN2
SCHEMBL11069056 0.72 L3MBTL1 (0.45) ALDH1A1GAAPLOD2SMN1; SMN2
SCHEMBL28836593 0.71 ALDH1A1 (0.51) ALDH1A1LDLRGAAPLOD2PLOD3
SCHEMBL18623188 0.71 ALDH1A1 (0.46) ALDH1A1LDLRGAASMN1; SMN2
SCHEMBL18604872 0.71 ALDH1A1 (0.46) ALDH1A1LDLRGAASMN1; SMN2
SCHEMBL17065074 0.70 ALDH1A1 (0.56) ALDH1A1LDLRGAACTNNB1WNT3A
SCHEMBL5077141 0.69 THRB (0.56) ALDH1A1SMN1; SMN2TP53
SCHEMBL14434843 0.69 CYP19A1 (0.49) ALDH1A1GAAPLOD2SMN1; SMN2

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 ALDH1A1 1466/4885LDLR 1991/4885GAA 322/4885
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release COMT, SLC6A3, HTR2A ALDH1A1 1069/4885LDLR 1584/4885GAA 313/4885

“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.