SCHEMBL1707585

SCHEMBL1707585

CCCC1CN(C(=O)NC)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.33
GRM5 P41594 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM3 Q14832 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
TLR4 O00206 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HDAC2 Q92769 1/20 0.31
CCR5 P51681 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL1707651 0.83 POLB (0.50) POLBKMT2AGRM5GRM7GRM3
SCHEMBL21025172 0.79 POLB (0.42) POLBGRM5GRM7GRM3
SCHEMBL1708559 0.79 POLB (0.50) POLBKMT2AGRM5GRM7GRM3
SCHEMBL13861304 0.78 POLB (0.48) POLBKMT2AGRM5GRM7GRM3
SCHEMBL18059328 0.77 CHRNB2 (0.45) POLBKMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL21025690 0.76 POLB (0.46) POLBGRM5GRM7GRM3LMNA
SCHEMBL1708216 0.76 POLB (0.42) POLBKMT2AGRM5GRM7GRM3
SCHEMBL24744499 0.75 CHRNB2 (0.53) POLBKMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL20808721 0.75 CYP2C9 (0.38) KMT2ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24449814 0.74 POLB (0.45) POLBGRM5GRM7GRM3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 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 (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-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH POLB 3038/4885KMT2A 572/4885GRM5 834/4885

“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.