SCHEMBL336170

SCHEMBL336170

CN1CCCC1CC(=O)CC1CCCN1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA7 P36544 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNA5 P30532 2/20 0.45
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL336171 1.00 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL16120991 0.90 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL14381443 0.90 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL24475237 0.87 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL30924430 0.86 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
Hygrine SCHEMBL335690 0.85 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL8198672 0.85 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL14077882 0.85 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
SCHEMBL13740779 0.85 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2
Hygrine SCHEMBL335689 0.85 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNA5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059510-A1 COCA LEAF EXTRACT FOR NEUROPSYCHIATRIC DISORDERS MAGDALENA BIOSCIENCES, INC. (US) 2025-03-20 WO claimed
US-20220409635-A1 NOVEL COMPOSITION SpecNova LLC (US) 2022-12-29 US claimed
US-20220386644-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2022-12-08 US claimed
CN-109852476-A A kind of essence for the smoking article that do not burn suitable for low temperature, preparation method and application 薪火高科(深圳)有限公司 2019-06-07 CN claimed
CN-109588761-A It is a kind of to have effects that relieving cough and reducing sputum tobacco juice for electronic smoke 薪火高科(深圳)有限公司 2019-04-09 CN claimed
WO-2019046510-A1 METHODS AND COMPOSITIONS FOR IMPROVING THE TASTE OF DIET COLA SODAS AND OTHER BEVERAGES AHARONIAN GREGORY (US) 2019-03-07 WO claimed
US-20180352834-A1 FOOD COMPOSITIONS FOR MAMMALS SHETH HETAL (US) 2018-12-13 US claimed
WO-2018227170-A1 FOOD COMPOSITIONS FOR MAMMALS SHETH HETAL (US) 2018-12-13 WO claimed
CN-108865496-A It is a kind of environment friendly and pollution-free multi-functional not hurt hands cleaning agent 冠道(广州)科技有限公司 2018-11-23 CN claimed
CN-108795596-A It is a kind of can rapid taste removal, the natural sea alkaline cleaner that goes stain antibacterial 冠道(广州)科技有限公司 2018-11-13 CN claimed
EP-3171703-A1 USE OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED COCOA Aharonian, Gregory (US) 2017-05-31 EP claimed
WO-2016118806-A1 USES OF COCA LEAF TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (GB) 2016-07-28 WO claimed
US-20160021906-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2016-01-28 US claimed
WO-2016014114-A1 USE OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2016-01-28 WO claimed
EP-2734514-B1 USE OF A THIOPHENE COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY UNIV ANGERS (FR) 2015-07-08 EP claimed
WO-2015013679-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED CACAO AHARONIAN GREGORY (US) 2015-01-29 WO claimed
US-20140319331-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2014-10-30 US claimed
EP-2734514-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY Centre National de la Recherche Scientifique (CNRS) (FR) 2014-05-28 EP claimed
WO-2013011234-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2013-01-24 WO claimed
US-20030228359-A1 Pharmaceutical formulations containing epinastine, belladonna, and pseudoephedrine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-12-11 US claimed

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-20220409635-A1 NOVEL COMPOSITION CYP7B1, WNT3A, WNT3 CHRNB2 4318/4885CHRNA7 2977/4885CHRNA4 3086/4885
US-20140319331-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY CIAPIN1, SRMS, MMP7 CHRNB2 1200/4885CHRNA7 959/4885CHRNA4 1485/4885

“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.