SCHEMBL4403167

SCHEMBL4403167

CCCNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.64
GRIN2A Q12879 2/20 0.64
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 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
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL11126137 0.84 GRIN1 (0.72) GRIN1GRIN2AKDM4ELMNAKDM1A
Water SCHEMBL11434438 0.84 GRIN1 (0.72) GRIN1GRIN2AKDM4EKDM1ASIGMAR1
SCHEMBL9973173 0.84 GRIN1 (0.72) GRIN1GRIN2AMEN1KMT2AHTR2A
SCHEMBL23081526 0.83 TAAR1 (0.57) GRIN1GRIN2AMEN1KMT2ARAB9A
SCHEMBL13911257 0.83 TAAR1 (0.57) GRIN1GRIN2AMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL11129675 0.83 GRIN1 (0.76) GRIN1GRIN2AHTR2ALMNAKDM1A
Hydrochloric Acid SCHEMBL11127188 0.83 GRIN1 (0.76) GRIN1GRIN2AHTR2ALMNAKDM1A
Hydrochloric Acid SCHEMBL11127863 0.83 GRIN1 (0.76) GRIN1GRIN2AHTR2ALMNAKDM1A
Water SCHEMBL11440673 0.83 GRIN1 (0.76) GRIN1GRIN2AHTR2AKDM1ASIGMAR1
Water SCHEMBL11433617 0.83 GRIN1 (0.76) GRIN1GRIN2AHTR2AKDM1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US disclosed
EP-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 GRIN1 2351/4885GRIN2A 1921/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 GRIN1 2250/4885GRIN2A 2643/4885MEN1 2571/4885

“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.