SCHEMBL6470746

SCHEMBL6470746

CC(CCc1ccc(N)nc1)N[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.40
CPB2 Q96IY4 1/20 0.39
ADRA1A P35348 3/20 0.39
OPRK1 P41145 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
SLC6A2 P23975 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL6467095 1.00 SIGMAR1 (0.48) SIGMAR1MEN1KMT2AEPHX2CPB2
SCHEMBL5133310 1.00 SIGMAR1 (0.48) SIGMAR1MEN1KMT2AEPHX2CPB2
Hydrochloric Acid SCHEMBL5041625 0.99 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AEPHX2CPB2
SCHEMBL6470287 0.85 MEN1 (0.41) MEN1KMT2AEPHX2CPB2ADRA1A
SCHEMBL5044960 0.83 CPB2 (0.41) CPB2CYP1A2CYP2D6GABRPGABRD
SCHEMBL5133309 0.81 VNN1 (0.45) SIGMAR1MEN1KMT2AOPRK1OPRM1
SCHEMBL6467093 0.81 VNN1 (0.45) SIGMAR1MEN1KMT2AOPRK1OPRM1
SCHEMBL6470743 0.81 VNN1 (0.45) SIGMAR1MEN1KMT2AOPRK1OPRM1
SCHEMBL5131617 0.80 BCHE (0.58) SIGMAR1MEN1KMT2ACPB2OPRK1
SCHEMBL20847996 0.79 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AADRA1AOPRK1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIGMAR1 2440/4885MEN1 978/4885KMT2A 2085/4885

“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.