SCHEMBL7698599

SCHEMBL7698599

Brc1cncc(C2=NCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.59
CHRNA3 P32297 12/20 0.59
CHRNA7 P36544 2/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2A6 P11509 2/20 0.40
PTK2 Q05397 1/20 0.39
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PTGS2 P35354 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
SCHEMBL24344048 0.86 CHRNA7 (0.68) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL17821122 0.78 CHRNA7 (0.54) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL17864140 0.78 CHRNA7 (0.54) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL2807123 0.74 CHRNB4 (0.90) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL13114823 0.74 ALDH1A1 (0.60) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL25348846 0.72 CYP2A6 (0.44) CHRNB4CHRNA3CYP2A6PTK2CYP11B1
SCHEMBL2045328 0.72 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL14392676 0.72 CYP2A6 (0.61) CYP2A6PTK2CYP11B1CYP11B2PTGS2
Hydrochloric Acid SCHEMBL1418507 0.71 CHRNA7 (0.59) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL14993852 0.71 CYP2A6 (0.47) CHRNB4CHRNA3CYP2A6PTK2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-08-01 US disclosed
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-08-01 US disclosed
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-08-01 US disclosed
EP-4119671-A1 METHOD FOR SYNTHESIZING (S)-NICOTINE Porton Pharma Solutions Ltd. (CN) 2023-01-18 EP disclosed
US-20220362375-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-17 US disclosed
US-11357848-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-14 US disclosed
US-11357848-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-14 US disclosed
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-10 US disclosed
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-10 US disclosed
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-10 US disclosed
US-9884114-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-06 US disclosed
US-9884114-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-06 US disclosed
US-9884114-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-06 US disclosed
US-20160375131-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-29 US disclosed
US-20160375131-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-29 US disclosed
US-20100260671-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 US disclosed
US-20100260671-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 US disclosed
WO-2008151073-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-11 WO disclosed
WO-2002058635-A2 NICOTINE IMMUNOGENS AND ANTIBODIES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2002-08-01 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 (6 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-20220362375-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 CHRNB4 5/4885CHRNA3 13/4885CHRNA7 12/4885
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof NAPRT, CHRNG, CHRNB2 CHRNB4 5/4885CHRNA3 13/4885CHRNA7 12/4885
US-20100260671-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES APP, HTT, SCN3A CHRNB4 25/4885CHRNA3 5/4885CHRNA7 42/4885
US-20160375131-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 CHRNB4 5/4885CHRNA3 13/4885CHRNA7 12/4885
US-11357848-B2 Methods of rational nicotine hapten design and uses thereof NAPRT, CHRNG, CHRNB2 CHRNB4 5/4885CHRNA3 13/4885CHRNA7 12/4885
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 CHRNB4 5/4885CHRNA3 13/4885CHRNA7 12/4885

“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.