SCHEMBL3642467

SCHEMBL3642467

c1ccc(C(CCNCCC2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
BCHE P06276 4/20 0.48
KDM1A O60341 3/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
SIGMAR1 Q99720 1/20 0.48
SOS1 Q07889 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 2/20 0.44
DPP4 P27487 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL3638334 0.86 KDM1A (0.49) KCNH2KDM1AMAOAMAOBSIGMAR1
SCHEMBL6570842 0.82 CYP2D6 (0.47) BCHEKDM1AMAOAMAOBSIGMAR1
SCHEMBL3638054 0.81 KCNH2 (0.44) KCNH2SIGMAR1SOS1HTR2AHRH1
SCHEMBL11796932 0.80 KCNH2 (0.76) KCNH2KDM1AMAOBSIGMAR1HTR2A
SCHEMBL1780147 0.79 SOS1 (0.60) KCNH2SOS1HTR2AHRH1DPP4
Hydrochloric Acid SCHEMBL11794831 0.78 KCNH2 (0.73) KCNH2KDM1AMAOBSIGMAR1HTR2A
SCHEMBL14624881 0.77 KCNH2 (0.44) KCNH2BCHESOS1HTR2AHRH1
SCHEMBL23023177 0.76 SIGMAR1 (0.77) KDM1AMAOAMAOBSIGMAR1CHRM2
SCHEMBL23023029 0.76 SIGMAR1 (0.77) KDM1AMAOAMAOBSIGMAR1CHRM2
SCHEMBL716430 0.75 SIGMAR1 (0.48) BCHEKDM1AMAOAMAOBSIGMAR1

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 KCNH2 1594/4885BCHE 1274/4885KDM1A 3511/4885

“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.