SCHEMBL7241817

SCHEMBL7241817

CC(CN)C(N)c1ccccc1.[Al+3].[H-].[H-].[H-].[LiH]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.52
DPP4 P27487 2/20 0.50
HTR2A P28223 1/20 0.46
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6933824 0.94 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL6935886 0.94 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL7210205 0.94 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL4672117 0.94 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL4678318 0.94 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL20525542 0.83 TAAR1 (0.41) TAAR1DPP4HTR2AHIF1AKDM4E
SCHEMBL2192530 0.77 DPP4 (0.56) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL4089559 0.75 DPP4 (0.54) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL22050522 0.75 DPP4 (0.54) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL7210203 0.75 DPP4 (0.54) TAAR1DPP4SLC6A2MAOASLC6A4

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-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B TAAR1 2185/4885DPP4 301/4885HTR2A 2608/4885

“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.