SCHEMBL3638334

SCHEMBL3638334

c1ccc(C(CCNCCC2CCOCC2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
KCNH2 Q12809 3/20 0.49
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 1/20 0.46
SOS1 Q07889 1/20 0.43
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
OPRL1 P41146 1/20 0.39
CYP3A4 P08684 2/20 0.39
OPRM1 P35372 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3646238 0.87 CHRM2 (0.44) KDM1AMAOBMAOACHRM2CHRM1
SCHEMBL3642467 0.86 KCNH2 (0.53) KDM1AMAOBMAOAKCNH2CHRM2
SCHEMBL3638054 0.77 KCNH2 (0.44) KCNH2CHRM2CHRM1SOS1HTR2A
SCHEMBL23023116 0.76 SIGMAR1 (0.55) KDM1AMAOBMAOACHRM2CHRM1
SCHEMBL3639265 0.76 SOS1 (0.67) KCNH2CHRM2CHRM1SOS1HTR2A
SCHEMBL11796932 0.76 KCNH2 (0.76) KDM1AMAOBKCNH2CHRM2CHRM1
Hydrochloric Acid SCHEMBL11794831 0.74 KCNH2 (0.73) KDM1AMAOBKCNH2CHRM2CHRM1
SCHEMBL28572642 0.73 KDM1A (0.41) KDM1AMAOBMAOAHTR2ACYP1A2
SCHEMBL128071 0.73 ACHE (0.57) KDM1AKCNH2OPRM1DRD3LMNA
SCHEMBL6251412 0.72 KDM1A (0.55) KDM1AMAOBMAOACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 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 (1 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 KDM1A 3511/4885MAOB 1576/4885MAOA 1612/4885

“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.