SCHEMBL8076992

SCHEMBL8076992

CN1C2C=CC(CC2)C1c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA2 Q15822 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
PSIP1 O75475 1/20 0.46
TRPA1 O75762 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
MAPT P10636 1/20 0.46
CHRNB1 P11230 1/20 0.46
CYP2A6 P11509 1/20 0.46
PTGS1 P23219 1/20 0.46
CHRNA5 P30532 1/20 0.46

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
SCHEMBL30116774 1.00 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Fumaric Acid SCHEMBL9085199 0.89 KDM4E (0.43) CHRNA7ALDH1A1LMNATDP1KDM4E
SCHEMBL8070733 0.87 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL24154837 0.82 KDM4E (0.42) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL24155088 0.79 TRPV6 (0.35)
SCHEMBL8488992 0.77 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL24154692 0.75 CHRNB2 (0.49) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8071268 0.75 TSHR (0.46) ALDH1A1MAPTKDM4ECYP3A4TSHR
SCHEMBL30116744 0.75 TSHR (0.46) ALDH1A1MAPTKDM4ECYP3A4TSHR
SCHEMBL8077458 0.71 CYP2A6 (0.40) ALDH1A1CYP2A6KDM4ECYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583140-A ADMINISTERING 2-AZABICYCLO(2.2.2)OCT-5-ENE DERIVATIVES TO TREAT NEURODEGENERATIVE DISORDERS SUCH AS SENILE DEMENTIA OF ALZHEIMER'S TYPE TARGACEPT, INC. A CORP. OF DE, 1996-12-10 US claimed
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
EP-4172156-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL Philip Morris Products S.A. (CH) 2023-05-03 EP disclosed
CN-115698002-A Compositions and methods for parasite control 菲利普莫里斯生产公司 2023-02-03 CN disclosed
WO-2021260029-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2021-12-30 WO disclosed
WO-2021260029-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2021-12-30 WO disclosed
US-6100269-A ADMINISTERING TO PATIENT NICOTINIC RECEPTOR AGONISTIC DERIVATIVES OF 3-(PYRIDYL OR PYRIMIDYL)-2-AZABICYCLO(2.2.1) HEPTANE OR 2-AZABICYCLO(2.2.2.)OCTANE TO ELICIT NEUROTRANSMITTER SECRETION WITH REDUCED SIDE EFFECTS BENCHERIF MEROUANE (US) 2000-08-08 US disclosed
US-5583140-A ADMINISTERING 2-AZABICYCLO(2.2.2)OCT-5-ENE DERIVATIVES TO TREAT NEURODEGENERATIVE DISORDERS SUCH AS SENILE DEMENTIA OF ALZHEIMER'S TYPE TARGACEPT, INC. A CORP. OF DE, 1996-12-10 US disclosed
WO-1996036637-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-11-21 WO disclosed
WO-1996036637-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-11-21 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 (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-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL TRHDE, CUTA, PIGS CHRNA7 3165/4885CHRNB2 4302/4885CHRNA4 3979/4885

“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.