SCHEMBL20009007

SCHEMBL20009007

CC(C)N1CC2CCC(C1)N2c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
GPR119 Q8TDV5 1/20 0.36
AVPR2 P30518 1/20 0.35
CHIA Q9BZP6 1/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
GRM1 Q13255 2/20 0.33
MAPK14 Q16539 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
F12 P00748 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
SCHEMBL18081192 0.83 OPRM1 (0.39) HRH3GPR119CHIAHTR1ADRD4
SCHEMBL20012582 0.80 HRH3 (0.36) HRH3GPR119CHIAHTR1ADRD4
SCHEMBL18081168 0.79 CHIA (0.36) HRH3GPR119AVPR2CHIAHTR1A
SCHEMBL20009020 0.76 DRD3 (0.39) HRH3DRD4HTR2ASLC6A4HTR7
SCHEMBL20009060 0.76 HRH3 (0.43) HRH3DRD4
SCHEMBL20009044 0.73 KDM4E (0.37) GPR119GRM1
SCHEMBL17897243 0.72 HRH3 (0.63) HRH3GPR119F12
SCHEMBL17897272 0.71 HRH3 (0.47) HRH3GPR119GRM1F12
SCHEMBL30046919 0.71 RET (0.52) HRH3GPR119
SCHEMBL20009027 0.71 CYP11B2 (0.35) OPRM1

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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885GPR119 687/4885AVPR2 1039/4885

“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.