SCHEMBL178627

SCHEMBL178627

CNC(C)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ FFAR2 O15552 1/20 0.47
▸ SLC6A4 P31645 4/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL8353370 1.00 ADRB2 (0.52) ADRB2ALDH1A1FFAR2SLC6A4HTR2A
SCHEMBL2669157 1.00 ADRB2 (0.52) ADRB2ALDH1A1FFAR2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL20303159 0.98 ADRB2 (0.50) ADRB2ALDH1A1FFAR2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL20303161 0.98 ADRB2 (0.50) ADRB2ALDH1A1FFAR2SLC6A4HTR2A
SCHEMBL2669165 0.84 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2HIF1ALMNA
SCHEMBL19286210 0.82 ADRB2 (0.54) ADRB2ALDH1A1FFAR2HPGDGAA
SCHEMBL28277737 0.82 ADRB2 (0.54) ADRB2ALDH1A1FFAR2HPGDGAA
SCHEMBL11633101 0.78 ADRB2 (0.56) ADRB2ALDH1A1FFAR2HPGDGAA
SCHEMBL10087172 0.78 ADRB2 (0.56) ADRB2ALDH1A1FFAR2SLC6A4HPGD
SCHEMBL10315779 0.78 ADRB2 (0.56) ADRB2ALDH1A1FFAR2SLC6A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3789378-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND HETEROARYL Grünenthal GmbH (DE) 2021-03-10 — — EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 — — US disclosed
WO-2014042939-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-20 — — WO disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 — — US disclosed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 — — US disclosed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 — — WO disclosed
US-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 — — US disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 — — WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 — — US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 — — US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 — — WO disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 — — WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 — — US disclosed
EP-0355351-B1 Process for the preparation of amines BAYER AG (DE) 1993-11-10 — — EP disclosed
US-5011996-A Process for the preparation of amines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-30 — — US disclosed
EP-0355351-A2 Process for the preparation of amines BAYER AG (DE) 1990-02-28 — — 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 (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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1999/4885ALDH1A1 2435/4885FFAR2 259/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ADRB2 52/4885ALDH1A1 1120/4885FFAR2 2943/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1930/4885ALDH1A1 3084/4885FFAR2 258/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ADRB2 949/4885ALDH1A1 96/4885FFAR2 311/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ADRB2 1047/4885ALDH1A1 2333/4885FFAR2 193/4885

“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.

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