SCHEMBL17828658

SCHEMBL17828658

COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(C)cc4)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
MCHR1 Q99705 1/20 0.46
CCR5 P51681 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM4 P08173 1/20 0.44
FAAH O00519 2/20 0.44
CES2 O00748 1/20 0.44
DRD4 P21917 2/20 0.43

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
SCHEMBL16432718 0.93 CD74 (0.50) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL16439302 0.91 KDM4E (0.47) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL16439265 0.90 MMP1 (0.47) KDM4EALDH1A1MAPTMCHR1CCR5
Hydrochloric Acid SCHEMBL16433032 0.90 KDM4E (0.46) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL17819173 0.90 KDM4E (0.51) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL16432112 0.89 KDM4E (0.46) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL428100 0.89 WNK1 (0.53) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL16433132 0.88 KDM4E (0.44) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL16439290 0.88 OPRM1 (0.46) KDM4EALDH1A1MAPTMCHR1CCR5
SCHEMBL14950181 0.88 DRD2 (0.50) MCHR1GAASIGMAR1CHRM4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 KDM4E 998/4885ALDH1A1 247/4885MAPT 4367/4885

“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.