SCHEMBL18879376

SCHEMBL18879376

CCCCCCC(C)c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
GPR84 Q9NQS5 2/20 0.38
UHRF1 Q96T88 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
CXCR4 P61073 1/20 0.36
ADA P00813 2/20 0.35
MEN1 O00255 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
HRH1 P35367 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL18672385 0.86 UHRF1 (0.42) KDM4EHPGDUHRF1CCR1CCR5
SCHEMBL23982991 0.83 ADA (0.37) GPR84ADAOPRM1
SCHEMBL20342497 0.81 UHRF1 (0.46) KDM4EHPGDUHRF1CCR1CCR5
SCHEMBL14670941 0.81 UHRF1 (0.46) KDM4EHPGDUHRF1CCR1CCR5
SCHEMBL13991779 0.81 UHRF1 (0.46) KDM4EHPGDUHRF1CCR1CCR5
SCHEMBL28193271 0.79 CHRM2 (0.41) KDM4EHPGDMEN1NOS2KMT2A
SCHEMBL23564334 0.77 GPR84 (0.38) KDM4EHPGDGPR84ADAMEN1
SCHEMBL6114690 0.77 KCNA5 (0.47) KDM4ESMN1; SMN2
SCHEMBL24920226 0.77 KCNA5 (0.47) KDM4ESMN1; SMN2
SCHEMBL1245544 0.77 KCNA5 (0.47) KDM4ESMN1; SMN2

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-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 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-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 KDM4E 1019/4885HPGD 1842/4885GPR84 24/4885

“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.