SCHEMBL2622207

SCHEMBL2622207

CC(C)(C)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
CACNA1F O60840 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
ADRA2B P18089 1/20 0.55
CHRM3 P20309 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
CACNA1D Q01668 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
SCN5A Q14524 1/20 0.55
SLC6A4 P31645 1/20 0.55
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
GRM7 Q14831 1/20 0.46
AKT1 P31749 2/20 0.46
TSHR P16473 2/20 0.44

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
SCHEMBL13900835 0.88 AKT1 (0.63) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL14176512 0.80 HRH1 (0.55) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL28288447 0.80 HRH1 (0.55) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL2622208 0.78 CHRM2 (0.59) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL2622209 0.78 CHRM2 (0.59) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL8260622 0.78 CHRM2 (0.59) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL10426198 0.76 CACNA1F (0.52) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL27168294 0.76 LMNA (0.43) SLC6A4TSHRKMT2AMAPTLMNA
SCHEMBL2910676 0.76 LMNA (0.43) SLC6A4TSHRKMT2AMAPTLMNA
SCHEMBL11525874 0.76 SLC6A4 (0.43) HRH1CACNA1FCHRM2CHRM1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781287-B1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 2002-01-02 EP claimed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20130018207-A1 Frustrated Lewis Pair Compositions STEPHAN CONSULTING CORPORATION (CA) 2013-01-17 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 (11 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-20130018207-A1 Frustrated Lewis Pair Compositions LPAR3, SSTR3, LPAR1 HRH1 1293/4885CACNA1F 3881/4885CHRM2 406/4885
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HRH1 1488/4885CACNA1F 4873/4885CHRM2 3948/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 HRH1 2640/4885CACNA1F 4119/4885CHRM2 4823/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HRH1 2053/4885CACNA1F 1056/4885CHRM2 3200/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HRH1 1416/4885CACNA1F 4875/4885CHRM2 3848/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 HRH1 3728/4885CACNA1F 3445/4885CHRM2 4448/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HRH1 2640/4885CACNA1F 4119/4885CHRM2 4823/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 HRH1 2640/4885CACNA1F 4119/4885CHRM2 4823/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 HRH1 675/4885CACNA1F 1002/4885CHRM2 1595/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HRH1 1416/4885CACNA1F 4875/4885CHRM2 3848/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 HRH1 3728/4885CACNA1F 3445/4885CHRM2 4448/4885

“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.