SCHEMBL250102

SCHEMBL250102

CCN(CC)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.69
SIGMAR1 Q99720 3/20 0.69
KCNH2 Q12809 2/20 0.65
ESR1 P03372 2/20 0.65
CHRM2 P08172 2/20 0.65
ADRA2A P08913 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CHRM1 P11229 2/20 0.65
PTGS1 P23219 2/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
DRD3 P35462 2/20 0.65
HTR6 P50406 2/20 0.65
SLC6A3 Q01959 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP2D6 P10635 2/20 0.65
HTT P42858 2/20 0.65
IDH1 O75874 1/20 0.65
EGFR P00533 1/20 0.65
ERBB2 P04626 1/20 0.65

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 SCHEMBL4465808 0.98 EBP (0.67) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL5418369 0.92 TP53 (0.64) EBPSIGMAR1HTTHRH3BCHE
SCHEMBL3149568 0.87 EBP (0.69) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL8092814 0.86 BCHE (0.56) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL5810064 0.86 EBP (0.68) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL6812378 0.85 EBP (0.67) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL5418720 0.85 EBP (0.67) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL10885211 0.85 EBP (0.71) EBPSIGMAR1KCNH2ESR1CHRM2
Hydrochloric Acid SCHEMBL11673068 0.84 EBP (0.65) EBPSIGMAR1KCNH2ESR1CHRM2
SCHEMBL4473605 0.84 MAPT (0.70) EBPSIGMAR1KCNH2ESR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-7173061-B2 Compounds for imaging alzheimer's disease GE HEALTHCARE LIMITED (GB) 2007-02-06 US disclosed
US-7173061-B2 Compounds for imaging alzheimer's disease GE HEALTHCARE LIMITED (GB) 2007-02-06 US disclosed
US-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
EP-0062504-B1 PROCESS FOR PREPARING 3-(4-AMINOETHOXYBENZOYL)BENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1986-01-02 EP disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 US disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 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-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK2A3 EBP 264/4885SIGMAR1 1621/4885KCNH2 2946/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 EBP 141/4885SIGMAR1 1701/4885KCNH2 2613/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL EBP 105/4885SIGMAR1 1677/4885KCNH2 2225/4885

“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.