SCHEMBL2577931

SCHEMBL2577931

OCCCC(O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
TBXAS1 P24557 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
CYP17A1 P05093 1/20 0.44
TSHR P16473 1/20 0.44
KCNA5 P22460 3/20 0.41
KCNH2 Q12809 2/20 0.41
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL26772791 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL26772785 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2573660 0.95 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4125276 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL24919476 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28924924 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28924921 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL30273373 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28639757 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL25005917 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023206665-A1 PROCESS FOR UNPROTECTED ASYMMETRIC PREPARATION OF NICOTINE 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed
US-20230075688-A1 PREPARATION METHOD OF RACEMIC NICOTINE SHENZHEN ZINWI BIO-TECH CO., LTD (CN) 2023-03-09 US disclosed
WO-2023004919-A1 METHOD FOR PREPARING RACEMIC NICOTINE 深圳市真味生物科技有限公司 2023-02-02 WO disclosed
US-20230025652-A1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE SHENZHEN ZINWI BIO-TECH CO., LTD (CN) 2023-01-26 US disclosed
WO-2023284058-A1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE 深圳市真味生物科技有限公司 2023-01-19 WO disclosed
WO-2023284059-A1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER 深圳市真味生物科技有限公司 2023-01-19 WO disclosed
US-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT FEELLIFE HEALTH INC. (CN) 2021-09-30 US disclosed
US-10639300-B2 Compositions and methods for treating nasal and paranasal mucosa diseases with nicotinic acetylcholine receptor agonists SOLIS HERRERA ARTURO (MX) 2020-05-05 US disclosed
US-20190111038-A1 COMPOSITIONS AND METHODS FOR TREATING NASAL AND PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS SOLIS HERRERA ARTURO (MX) 2019-04-18 US disclosed
EP-3442583-A2 COMPOSITIONS AND METHODS FOR TREATING PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS Solis Herrera, Arturo (MX) 2019-02-20 EP disclosed
CN-102272246-B Pyridine group-containing electrocoat resin BASF COATINGS GMBH 2014-09-17 CN disclosed
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-01-30 US disclosed
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-01-30 US disclosed
EP-2382274-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF Coatings GmbH (DE) 2011-11-02 EP disclosed
WO-2010077404-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (US) 2010-07-08 WO disclosed
US-20100167069-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF CORPORATION (US) 2010-07-01 US disclosed
US-20100167071-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT COMPOSITION WITH METAL OXIDE BASF CORPORATION (US) 2010-07-01 US disclosed
US-6743939-B2 NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE ASTRAZENECA AB (SE) 2004-06-01 US disclosed
EP-1263714-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030105161-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-06-05 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 (5 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-20210300889-A1 METHOD FOR PREPARING ARTIFICIALLY SYNTHETIC (R,S)-NICOTINE SALT SRM, BRSK2, BRSK1 SMN1; SMN2 2550/4885CFTR 4268/4885SLC6A2 676/4885
US-20230025652-A1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE CHRNB1, CHRNB4, CHRNB3 SMN1; SMN2 3075/4885CFTR 4844/4885SLC6A2 3847/4885
US-20230075688-A1 PREPARATION METHOD OF RACEMIC NICOTINE NNMT, NAPRT, ADH1C SMN1; SMN2 1719/4885CFTR 4480/4885SLC6A2 404/4885
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE NAPRT, NNMT, NAMPT SMN1; SMN2 2492/4885CFTR 4581/4885SLC6A2 1033/4885
US-20030105161-A1 Novel phenylheteroalkylamine derivatives NOS1, CYP1A1, NOS2 SMN1; SMN2 2846/4885CFTR 1048/4885SLC6A2 2667/4885

“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.