SCHEMBL178538

SCHEMBL178538

CN[C@@H](C)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR2A P28223 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KCNH2 Q12809 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ GRIA4 P48058 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR1A P08908 2/20 0.34

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
SCHEMBL8284259 1.00 ALDH1A1 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL8285887 1.00 ALDH1A1 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL2669165 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19286213 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CHRNA7ACHETDP1
SCHEMBL28276361 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CHRNA7ACHETDP1
SCHEMBL2668985 0.78 CYP1A2 (0.52) ALDH1A1HTR2ASLC6A4TDP1KCNH2
SCHEMBL14305054 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA7ACHETDP1MEN1
SCHEMBL8284221 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6114224 0.77 SMN1; SMN2 (0.41) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL2669157 0.77 ADRB2 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2TDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 — — US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 — — US disclosed
US-8232413-B2 Process for the production of a crystalline glucagon receptor antagonist compound MERCK SHARP & DOHME CORP. (US) 2012-07-31 — — US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 — — EP 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
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-20100184995-A1 PROCESS FOR THE PRODUCTION OF A CRYSTALLINE GLUCAGON RECEPTOR ANTAGONIST COMPOUND MERCK SHARP & DOHME LLC 2010-07-22 — — US disclosed
US-7709658-B2 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME CORP. (US) 2010-05-04 — — US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 — — EP disclosed
US-20090054662-A1 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME LLC 2009-02-26 — — US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 — — US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 — — 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 (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-20090054662-A1 Process for synthesizing a substituted pyrazole GLP1R, GCGR, GIPR ALDH1A1 2924/4885HTR2A 479/4885SLC6A4 2953/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 ALDH1A1 2070/4885HTR2A 1553/4885SLC6A4 458/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ALDH1A1 96/4885HTR2A 2926/4885SLC6A4 286/4885
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ALDH1A1 2742/4885HTR2A 2900/4885SLC6A4 2032/4885
US-20100184995-A1 PROCESS FOR THE PRODUCTION OF A CRYSTALLINE GLUCAGON RECEPTOR ANTAGONIST COMPOUND GLP1R, GCGR, GCG ALDH1A1 4829/4885HTR2A 294/4885SLC6A4 1323/4885

“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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