SCHEMBL3420775

SCHEMBL3420775

CCCCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CHRM1 P11229 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD1 P21728 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
PTGS2 P35354 1/20 0.69
HRH1 P35367 1/20 0.69
DRD3 P35462 1/20 0.69
OPRK1 P41145 1/20 0.69
SLC6A3 Q01959 1/20 0.69
PDE4D Q08499 1/20 0.69
KCNH2 Q12809 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69
MAPT P10636 6/20 0.61
HSD17B10 Q99714 4/20 0.61
TRPV1 Q8NER1 3/20 0.61

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
SCHEMBL18546398 0.98 ADRB2 (0.72) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29245172 0.98 ADRB2 (0.72) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL28565282 0.95 DRD1 (0.67) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL19358636 0.90 MAPT (0.68) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29936449 0.90 MAPT (0.68) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29517055 0.89 MAPT (0.69) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL94205 0.89 MAPT (0.69) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL94204 0.89 MAPT (0.69) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL9503350 0.88 MAPT (0.65) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL11811440 0.86 ADRB2 (0.73) ADRB2ADORA3CHRM1ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103547566-B Aminoindane compounds and their use to treat pain 阿萨纳生物科技有限责任公司 2017-05-31 CN claimed
CN-106232110-A Ion channel activation agent and using method 弗莱克斯制药股份有限公司 2016-12-14 CN claimed
CN-105777573-A Preparation method of N-coumaroyldopamine 海门德思行药业科技有限公司 2016-07-20 CN claimed
CN-102112121-A Methods, compositions, and kits for treating pain and pruritis HARVARD COLLEGE 2011-06-29 CN claimed
CN-113710235-B Oral cannabinoid tablet 诺狄更斯公司 2024-03-29 CN disclosed
CN-113329743-B Tableted cannabinoid chewing gum with polyvinyl acetate elastomer plasticizer 诺狄更斯公司 2023-09-05 CN disclosed
WO-2023139581-A1 MODULATORS OF A POTASSIUM CHANNEL AND OF TRPV1 CHANNEL AND USES THEREOF BSENSE BIO THERAPEUTICS LTD. (IL) 2023-07-27 WO disclosed
CN-113784704-A Rapidly disintegrating cannabinoid tablets 诺狄更斯公司 2021-12-10 CN disclosed
CN-113727704-A Cannabinoid lozenge formulations 诺狄更斯公司 2021-11-30 CN disclosed
CN-113710235-A Oral cannabinoid tablets 诺狄更斯公司 2021-11-26 CN disclosed
CN-108601826-B Immunostimulatory compositions 法国公立援助医院 2021-10-26 CN disclosed
WO-2021188084-A2 A MEASUREMENT SYSTEM FOR TEAR CHEMICALS IN THE TEAR FOR DIAGNOSING DISEASES VSY BIYOTEKNOLOJI VE ILAC SANAYI ANONIM SIRKETI (TR) 2021-09-23 WO disclosed
US-20100137296-A1 N-PHENYL ANTHRANILIC ACID DERIVATIVES AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-06-03 US disclosed
CN-101522181-A Use of hypothermia inducing drugs to treat ischemia NEUROKEY AS (DK) 2009-09-02 CN disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
WO-2009037707-A2 N-PHENYL ANTHRANILIC ACID DERIVATIVES AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-03-26 WO disclosed
WO-2003007875-A9 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2005-03-10 WO disclosed
US-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation HOGESTATT EDWARD (SE) 2004-10-21 US disclosed
WO-2003008632-A1 FATTY ACID CONJUGATION AS A METHOD FOR SCREENING OF POTENTIALLY BIOACTIVE SUBSTANCES HOEGESTAETT EDWARD (SE) 2003-01-30 WO disclosed
WO-2003007875-A2 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2003-01-30 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 (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-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF ADRB2 513/4885ADORA3 1906/4885CHRM1 1549/4885
US-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation ACOX3, CYP2E1, CYP3A43 ADRB2 1428/4885ADORA3 604/4885CHRM1 3122/4885
US-20100137296-A1 N-PHENYL ANTHRANILIC ACID DERIVATIVES AND USES THEREOF TRPV1, TRPA1, TRPV4 ADRB2 965/4885ADORA3 490/4885CHRM1 1100/4885

“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.