SCHEMBL4402076

SCHEMBL4402076

C=C(Cl)C(Cc1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
STS P08842 1/20 0.45
ACHE P22303 1/20 0.44
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
ABCB1 P08183 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
YAP1 P46937 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
GLS O94925 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
SCHEMBL5407828 0.85 YAP1 (0.51) GPR119STSACHEYAP1KDM4E
SCHEMBL5413838 0.79 GPR119 (0.47) GPR119STSACHECHRM1CHRM2
SCHEMBL2862442 0.76 ALDH1A1 (0.60) CHRM1CHRM2CHRM4CHRM3KDM4E
SCHEMBL6345217 0.76 HDAC8 (0.56) GPR119STSACHEOPRD1KDM4E
SCHEMBL20443285 0.75 GPR119 (0.48) GPR119STSACHECHRM1CHRM2
SCHEMBL31189365 0.74 CTSB (0.43) GPR119STSACHECHRM1CHRM2
SCHEMBL24669984 0.74 MEN1 (0.55) GPR119STSACHE
SCHEMBL7411201 0.74 MC4R (0.51) GPR119STSACHECHRM1CHRM2
SCHEMBL7411206 0.74 MC4R (0.51) GPR119STSACHECHRM1CHRM2
SCHEMBL24669991 0.74 MEN1 (0.55) GPR119STSACHE

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 3 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

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 GPR119 455/4885STS 1372/4885ACHE 2605/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 GPR119 369/4885STS 919/4885ACHE 2392/4885

“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.