SCHEMBL837536

SCHEMBL837536

CNC(=O)OCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
CHRM5 P08912 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
CHRNA7 P36544 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
BCHE P06276 1/20 0.50
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
EPHX1 P07099 1/20 0.50
MAPT P10636 1/20 0.47
DNM1 Q05193 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
Hydrochloric Acid SCHEMBL10401636 0.98 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL15211959 0.87 EPHX1 (0.57) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL20610580 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12780602 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL30476766 0.84 EPHX1 (0.63) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL15062093 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10861078 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16541245 0.80 CHRNB2 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21814500 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16024869 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
EP-1126846-B1 Use of a nicotine receptor agonist for the manufacture of a medicament for the treatment of obsessive compulsive disorder CARLSSON A RESEARCH AB (SE) 2003-08-06 EP claimed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
EP-4309582-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-24 EP disclosed
EP-4306558-A1 BIOELECTRODE, PRODUCTION METHOD FOR BIOELECTRODE, AND MEASUREMENT METHOD FOR BIOSIGNALS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-17 EP disclosed
EP-3984456-B1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, POLYMER COMPOUND, AND COMPOSITE SHINETSU CHEMICAL CO (JP) 2023-08-23 EP disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
WO-2022122035-A1 COAGULATION FACTOR XIA INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2022-06-16 WO disclosed
US-20180110768-A1 METHODS AND COMPOSITIONS FOR REDUCTION OF SIDE EFFECTS OF THERAPEUTIC TREATMENTS PARKINSON'S INSTITUTE 2018-04-26 US disclosed
US-20160235732-A1 METHODS AND COMPOSITIONS FOR REDUCTION OF SIDE EFFECTS OF THERAPEUTIC TREATMENTS PARKINSON'S INSTITUTE 2016-08-18 US disclosed
EP-1977746-B1 Methods and compositions for reduction of side effects of therapeutic treatments PARKINSON S INST (US) 2014-07-30 EP disclosed
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US disclosed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP disclosed
EP-1126846-B1 Use of a nicotine receptor agonist for the manufacture of a medicament for the treatment of obsessive compulsive disorder CARLSSON A RESEARCH AB (SE) 2003-08-06 EP disclosed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO disclosed
EP-1126846-A1 USE OF A NICOTINE RECEPTOR AGONIST IN THE TREATMENT OF OBSESSIVE COMPULSIVE DISORDER A Carlsson Research AB (SE) 2001-08-29 EP disclosed
WO-2000025783-A1 USE OF A NICOTINE RECEPTOR AGONIST IN THE TREATMENT OF OBSESSIVE COMPULSIVE DISORDER A CARLSSON RESEARCH AB (SE) 2000-05-11 WO disclosed
EP-0137145-A1 New camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-04-17 EP 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 (3 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-20180110768-A1 METHODS AND COMPOSITIONS FOR REDUCTION OF SIDE EFFECTS OF THERAPEUTIC TREATMENTS CHRNA5, CHRM3, CHRM5 CHRNB2 14/4885CHRNA4 9/4885CHRM2 10/4885
US-20160235732-A1 METHODS AND COMPOSITIONS FOR REDUCTION OF SIDE EFFECTS OF THERAPEUTIC TREATMENTS CHRNA5, CHRM3, CHRM5 CHRNB2 14/4885CHRNA4 9/4885CHRM2 10/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 CHRNB2 15/4885CHRNA4 3/4885CHRM2 36/4885

“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.