SCHEMBL5343452

SCHEMBL5343452

CC1CCN(Cc2cccc(N)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
HRH3 Q9Y5N1 2/20 0.46
CXCR4 P61073 2/20 0.46
APP P05067 1/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7661481 0.86 CXCR4 (0.47) HRH3CXCR4APPBACE1CHRM2
SCHEMBL13833160 0.85 CXCR4 (0.56) CXCR4APPBACE1NPC1RAB9A
SCHEMBL5343494 0.84 CXCR4 (0.46) CXCR4APPBACE1NPC1RAB9A
Hydrochloric Acid SCHEMBL7474977 0.84 CXCR4 (0.46) CXCR4APPBACE1CHRM2CHRM1
SCHEMBL5337678 0.82 LMNA (0.60) HRH3APPBACE1ALDH1A1
SCHEMBL465821 0.82 CXCR4 (0.53) HRH3CXCR4APPBACE1CHRM2
SCHEMBL5338417 0.81 HRH3 (0.46) HRH3CXCR4APPBACE1
SCHEMBL5345098 0.81 ACHE (0.50) ACHEHRH3CXCR4NPC1RAB9A
SCHEMBL14375251 0.81 ACHE (0.50) ACHEHRH3CXCR4NPC1RAB9A
SCHEMBL22650478 0.81 CXCR4 (0.49) HRH3CXCR4APPBACE1ALDH1A1

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 10 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
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 ACHE 1578/4885HRH3 3754/4885CXCR4 2256/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX ACHE 902/4885HRH3 2734/4885CXCR4 2255/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACHE 1578/4885HRH3 3754/4885CXCR4 2256/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACHE 1578/4885HRH3 3754/4885CXCR4 2256/4885

“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.