SCHEMBL5338417

SCHEMBL5338417

CC1CC(C)CN(Cc2cccc(N)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
BACE1 P56817 2/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS1 P29475 1/20 0.40
CXCR4 P61073 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
PDE8B O95263 2/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL5337678 0.82 LMNA (0.60) HRH3CYP3A4BACE1APPL3MBTL1
SCHEMBL5343452 0.81 ACHE (0.50) HRH3BACE1APPCXCR4
SCHEMBL5345126 0.81 HRH3 (0.46) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL13833160 0.78 CXCR4 (0.56) BACE1APPNOS1CXCR4
SCHEMBL465821 0.75 CXCR4 (0.53) HRH3CYP2D6BACE1APPL3MBTL1
SCHEMBL30323744 0.74 CXCR4 (0.49) HRH4BACE1APPNOS1CXCR4
SCHEMBL22650478 0.74 CXCR4 (0.49) HRH3BACE1APPGAANOS1
SCHEMBL520138 0.74 CXCR4 (0.49) HRH4BACE1APPNOS1CXCR4
SCHEMBL465996 0.74 BACE1 (0.43) HRH3BACE1APPNOS1CXCR4
SCHEMBL15084352 0.74 FAAH (0.49) HRH3HRH4CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US 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
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
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

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 HRH3 3754/4885HRH4 2873/4885CYP1A2 2383/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 2734/4885HRH4 2521/4885CYP1A2 1944/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885CYP1A2 2383/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885CYP1A2 2383/4885

“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.