SCHEMBL535

SCHEMBL535

COC(=O)c1ccccc1-c1ccc(CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.65
SLC6A4 P31645 3/20 0.65
SLC6A2 P23975 1/20 0.57
LOXL2 Q9Y4K0 2/20 0.56
LTB4R2 Q9NPC1 1/20 0.53
BRS3 P32247 1/20 0.51
BDKRB1 P46663 6/20 0.49
ALDH1A1 P00352 1/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ROCK2 O75116 1/20 0.48
CSF1R P07333 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
ROCK1 Q13464 1/20 0.48
SLK Q9H2G2 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48

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 SCHEMBL680 0.98 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2LOXL2LTB4R2
SCHEMBL14326964 0.87 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL3112718 0.87 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL29979869 0.87 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL5475393 0.87 LOXL2 (0.57) SLC6A3SLC6A4SLC6A2LOXL2ALDH1A1
SCHEMBL2642187 0.86 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL8220001 0.85 TSHR (0.57) SLC6A3SLC6A4LTB4R2ALDH1A1HSD17B10
SCHEMBL27843639 0.85 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL8539999 0.84 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
Bromide SCHEMBL8670915 0.84 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2LTB4R2BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790754-B2 Alpha-hydroxy amides as bradykinin antagonists or inverse agonists MERCK SHARP & DOHME CORP. (US) 2010-09-07 US disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 EP disclosed
EP-1706372-B1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS MERCK SHARP & DOHME (US) 2010-05-19 EP disclosed
US-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists MERCK SHARP & DOHME CORP. 2008-12-25 US disclosed
EP-1706372-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS Merck & Co., Inc. (US) 2006-10-04 EP disclosed
US-7091380-B2 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060173023-A1 2-(Bicyclo)alkylamino-derivatives as mediators of chronic pain and inflammation MERCK & CO., INC. 2006-08-03 US disclosed
EP-1476419-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO INC (US) 2006-02-01 EP disclosed
WO-2005063690-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS MERCK & CO., INC. (US) 2005-07-14 WO disclosed
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2005-04-21 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
CN-1050539-A Diphenyl methane derivative and medicinal EISAI CO LTD (JP) 1991-04-10 CN disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 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-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists BDKRB1, BDKRB2, HCAR2 SLC6A3 2801/4885SLC6A4 2357/4885SLC6A2 1339/4885
US-20060173023-A1 2-(Bicyclo)alkylamino-derivatives as mediators of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 SLC6A3 4470/4885SLC6A4 3710/4885SLC6A2 3420/4885
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 SLC6A3 3890/4885SLC6A4 2252/4885SLC6A2 2757/4885

“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.