SCHEMBL13145809

SCHEMBL13145809

CCN(c1ccccn1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.43
KCNH2 Q12809 3/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13145774 0.80 CYP2C19 (0.42) CYP2D6CYP2C19POLBKCNH2CHRM2
SCHEMBL13145785 0.77 CYP2D6 (0.32) CYP2D6KCNA5KCNE1
SCHEMBL225860 0.75 CYP2D6 (0.52) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL6247532 0.75 CYP2D6 (0.47) CYP2D6CYP2C19POLBKCNH2CHRM2
SCHEMBL29390583 0.75 CYP2D6 (0.52) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL24741515 0.75 CYP2D6 (0.47) CYP2D6CYP2C19POLBKCNH2CHRM2
SCHEMBL1921570 0.75 CYP2D6 (0.62) CYP2D6CYP2C19POLBKCNH2CHRM2
SCHEMBL2760196 0.74 CYP2D6 (0.55) CYP2D6CYP2C19POLBKCNH2CHRM2
Hydrochloric Acid SCHEMBL28665181 0.74 KDM4E (0.53) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL2736347 0.74 CYP2C19 (0.50) CYP2D6CYP2C19POLBKCNH2CHRM2

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CYP2D6 2049/4885CYP2C19 862/4885POLB 4104/4885

“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.