SCHEMBL5338247

SCHEMBL5338247

Brc1cccc(OC2CCOC2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
LRRK2 Q5S007 2/20 0.36
HTR7 P34969 1/20 0.36
GRM4 Q14833 4/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
FFAR2 O15552 2/20 0.34
GRM5 P41594 2/20 0.34
EGFR P00533 3/20 0.33
ITK Q08881 2/20 0.33
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL23967190 1.00 KCNH2 (0.37) KCNH2SLC6A2SLC6A4LRRK2HTR7
SCHEMBL30648400 0.87 HTR7 (0.39) KCNH2SLC6A2SLC6A4HTR7
SCHEMBL15921789 0.87 HTR7 (0.39) KCNH2SLC6A2SLC6A4HTR7
SCHEMBL31546857 0.81 SLC6A2 (0.43) KCNH2SLC6A2SLC6A4HTR7
SCHEMBL19437904 0.81 SLC6A2 (0.43) KCNH2SLC6A2SLC6A4HTR7
SCHEMBL5343908 0.81 MCHR1 (0.41) KCNH2SLC6A2SLC6A4LRRK2GRM4
SCHEMBL15086913 0.81 LRRK2 (0.41) LRRK2KRASSOS1GRM5
SCHEMBL23967036 0.81 LRRK2 (0.39) KCNH2SLC6A2SLC6A4LRRK2GRM4
SCHEMBL20891223 0.81 SOS1 (0.39) LRRK2KRASSOS1GRM5
SCHEMBL29953489 0.79 FFAR2 (0.35) KCNH2LRRK2GRM4KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797885-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-08-10 EP disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (4 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-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL KCNH2 825/4885SLC6A2 819/4885SLC6A4 381/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885SLC6A2 3596/4885SLC6A4 3547/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885SLC6A2 3596/4885SLC6A4 3547/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KCNH2 4400/4885SLC6A2 3596/4885SLC6A4 3547/4885

“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.