SCHEMBL408079

SCHEMBL408079

CCC(=O)Cn1nnnc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
P2RX7 Q99572 2/20 0.46

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
SCHEMBL5966693 0.84 ALDH1A1 (0.74) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL8947294 0.82 MAPK1 (0.61) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL8947261 0.81 ALDH1A1 (0.75) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL1520494 0.81 HSD11B1 (0.58) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL1775515 0.81 HSD11B1 (0.56) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL5966689 0.81 TRPV1 (0.59) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL1154434 0.79 ALDH1A1 (0.62) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL8947310 0.78 TRPV1 (0.63) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL8947249 0.77 MEN1 (0.59) HSD11B1ALDH1A1HPGDPOLBHTT
SCHEMBL8947331 0.77 ALDH1A1 (0.84) HSD11B1ALDH1A1HPGDPOLBHTT

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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HSD11B1 598/4885ALDH1A1 394/4885HPGD 22/4885

“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.