SCHEMBL19652127

SCHEMBL19652127

CN(C(=O)C(C)(C)C)C1CCN(Cc2cccc(C#N)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.52
DRD4 P21917 3/20 0.48
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
CCR3 P51677 1/20 0.48
FAAH O00519 1/20 0.48
F10 P00742 1/20 0.48
CCR5 P51681 1/20 0.47
DRD3 P35462 2/20 0.46
CHRM3 P20309 1/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 2/20 0.45
CHRM4 P08173 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL19658475 0.88 MLNR (0.54) MLNRDRD4DRD2HTR2AHTR2C
SCHEMBL19652125 0.86 CCR5 (0.51) MLNRDRD2HTR2AHTR2CHTR2B
SCHEMBL13588400 0.82 SIGMAR1 (0.62) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19652131 0.77 KCNH2 (0.52) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL470965 0.76 ACHE (0.59) MLNRDRD4DRD2CCR3FAAH
SCHEMBL19652090 0.76 SIGMAR1 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5413141 0.74 KCNH2 (0.67) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL20804353 0.74 FAAH (0.63) DRD4DRD2SIGMAR1FAAHDRD3
SCHEMBL28024099 0.74 FAAH (0.63) DRD4DRD2SIGMAR1FAAHDRD3
SCHEMBL19652144 0.74 CHRM2 (0.54) DRD4SIGMAR1FAAHCCR5CHRM3

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MLNR 4453/4885DRD4 3039/4885DRD2 2016/4885

“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.