SCHEMBL19658472

SCHEMBL19658472

CC(=O)N(C)C1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
GPR119 Q8TDV5 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
LTA4H P09960 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
ACHE P22303 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL14100439 0.89 KCNH2 (0.53) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL4592218 0.87 CHRM2 (0.64) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL9030647 0.87 SIGMAR1 (0.67) KCNH2DRD2HTR2AHTR2CHTR2B
SCHEMBL19658765 0.86 OPRM1 (0.56) KCNH2GPR119L3MBTL1DRD2HTR2A
SCHEMBL19652131 0.85 KCNH2 (0.52) KCNH2GPR119L3MBTL1DRD2HTR2A
SCHEMBL19658476 0.85 CHRM2 (0.57) KCNH2GPR119SIGMAR1CHRM2CHRM3
SCHEMBL19658764 0.84 MEN1 (0.54) KCNH2GPR119DRD2HTR2AHTR2C
SCHEMBL19658974 0.84 DRD2 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL17753009 0.83 ACHE (0.60) KCNH2L3MBTL1ACHE
SCHEMBL12074554 0.82 ALDH1A1 (0.56) KCNH2L3MBTL1ACHEALDH1A1HRH1

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 KCNH2 3447/4885GPR119 988/4885L3MBTL1 3326/4885

“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.