SCHEMBL523445

SCHEMBL523445

CN1CCCC1c1ccc(N)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CHRNA7 P36544 2/20 0.56
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA4 P43681 2/20 0.56
CHRNA2 Q15822 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
PSIP1 O75475 1/20 0.56
TRPA1 O75762 1/20 0.56
HTR3B O95264 1/20 0.56
CHRNA1 P02708 1/20 0.56
CHRNG P07510 1/20 0.56
MAPT P10636 1/20 0.56
CHRNB1 P11230 1/20 0.56
CYP2A6 P11509 1/20 0.56
PTGS1 P23219 1/20 0.56
CHRNA5 P30532 1/20 0.56

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
SCHEMBL524734 1.00 ALDH1A1 (0.56) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
Cyanide SCHEMBL27908616 0.95 ALDH1A1 (0.52) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL28797122 0.90 ALDH1A1 (0.55) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL30618802 0.83 ALDH1A1 (0.64) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL29766108 0.83 ALDH1A1 (0.64) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL30866542 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL157172 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL5249340 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL29173751 0.82 CHRNA7 (0.62) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL3563193 0.81 CHRNB2 (0.67) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100518823-C Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2009-07-29 CN claimed
US-7452541-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2008-11-18 US claimed
CN-1668331-A Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-09-14 CN claimed
US-6932971-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-08-23 US claimed
US-4115539-A RADIOIMMUNOASSAY, REACTION PRODUCT WITH ISOCYANATES UNION CARBIDE CORPORATION (US) 1978-09-19 US claimed
JP-55038309-A None JP disclosed
WO-2023157150-A1 USE OF POLYSACCHARIDE DERIVATIVE 持田製薬株式会社 2023-08-24 WO disclosed
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 CN disclosed
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2020-07-30 US disclosed
US-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-06-02 US disclosed
CN-107253963-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-04-14 CN disclosed
CN-110818724-A Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-02-21 CN disclosed
WO-1999061054-A1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 1999-12-02 WO disclosed
EP-0569490-A4 1994-04-06 EP disclosed
EP-0569490-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR IMMUNOASSAYS FOR COTININE ABBOTT LABORATORIES (US) 1993-11-18 EP disclosed
US-5164504-A HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR IMMUNOASSAYS FOR COTININE DERIVATIVES ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
WO-1992012975-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR IMMUNOASSAYS FOR COTININE ABBOTT LABORATORIES (US) 1992-08-06 WO disclosed
US-4243605-A RADIOIMMUNOASSAY, LABELS UNION CARBIDE CORPORATION (US) 1981-01-06 US disclosed
JP-S5538309-A NICOTINE DERIVATIVE JAPAN TOBACCO INC 1980-03-17 JP disclosed
US-4115539-A RADIOIMMUNOASSAY, REACTION PRODUCT WITH ISOCYANATES UNION CARBIDE CORPORATION (US) 1978-09-19 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-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using AAAS, NANS, CIAPIN1 ALDH1A1 2014/4885CHRNA7 2246/4885CHRNB2 2259/4885
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 ALDH1A1 2014/4885CHRNA7 2246/4885CHRNB2 2259/4885

“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.