SCHEMBL5338566

SCHEMBL5338566

c1ccc(CC2CNCCO2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.48
SLC6A3 Q01959 10/20 0.48
SLC6A4 P31645 10/20 0.48
HTR2A P28223 4/20 0.48
HTR2B P41595 2/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA2C P18825 1/20 0.48
HRH1 P35367 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR3A P46098 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1553152 0.83 CYP1A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1553149 0.83 CYP1A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL28106069 0.81 ADRA2C (0.49) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL6616733 0.78 ADRB2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL30637279 0.78 HTR2A (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1552180 0.78 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1553138 0.78 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL28253269 0.77 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL465245 0.77 HRH1 (0.44) HRH1
SCHEMBL28029187 0.77 HTR2A (0.40) SLC6A2SLC6A3SLC6A4HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
CN-106559992-A As the bicyclic heteroaromatic derivative for condensing of kinase inhibitor UCB生物制药私人有限公司 2017-04-05 CN disclosed
CN-106507674-A Fused bicyclic heteroaromatic derivatives as kinase inhibitors UCB生物制药私人有限公司 2017-03-15 CN disclosed
CN-106459046-A Pyrazolo-pyridine derivatives as kinase inhibitors UCB生物制药私人有限公司 2017-02-22 CN disclosed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN 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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SLC6A2 3596/4885SLC6A3 3049/4885SLC6A4 3547/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX SLC6A2 2689/4885SLC6A3 3223/4885SLC6A4 3570/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SLC6A2 3596/4885SLC6A3 3049/4885SLC6A4 3547/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX SLC6A2 3596/4885SLC6A3 3049/4885SLC6A4 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.