SCHEMBL4101414

SCHEMBL4101414

Fc1ccc(CN2CCC2)cc1F

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.89
HTT P42858 1/20 0.89
CHKA P35790 3/20 0.55
HRH3 Q9Y5N1 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
DRD4 P21917 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
SCHEMBL28192273 0.96 ALDH1A1 (0.96) ALDH1A1HTTCHKAHRH3SMN1; SMN2
SCHEMBL13293320 0.94 ALDH1A1 (1.00) ALDH1A1HTTHRH3SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7401709 0.92 ALDH1A1 (0.96) ALDH1A1HTTHRH3SMN1; SMN2KDM4E
SCHEMBL4033896 0.85 ALDH1A1 (0.71) ALDH1A1HTTCHKASMN1; SMN2KDM4E
SCHEMBL16226262 0.85 ALDH1A1 (0.71) ALDH1A1HTTCHKAKDM4EDRD4
SCHEMBL2921989 0.83 ALDH1A1 (0.69) ALDH1A1HTTHRH3KDM4ESIGMAR1
SCHEMBL12891510 0.83 ALDH1A1 (0.69) ALDH1A1HTTCHKAKDM4E
SCHEMBL30334972 0.83 ALDH1A1 (0.64) ALDH1A1HTTCHKAHRH3SMN1; SMN2
SCHEMBL3125832 0.83 ALDH1A1 (0.69) ALDH1A1HTTCHKASMN1; SMN2KDM4E
SCHEMBL16226483 0.83 ALDH1A1 (0.69) ALDH1A1HTTPOLBSIGMAR1DRD4

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-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 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-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 ALDH1A1 3361/4885HTT 3505/4885CHKA 926/4885

“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.