SCHEMBL20320658

SCHEMBL20320658

C[C@]1(Cc2ccccc2)CC[C@H](O)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21825342 1.00 ALDH1A1 (0.38) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL14881906 1.00 ALDH1A1 (0.38) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL1717495 0.85 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL1320019 0.79 CARM1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL15422090 0.79 HPGD (0.42) ALDH1A1MEN1KMT2A
SCHEMBL12612018 0.79 HPGD (0.42) ALDH1A1MEN1KMT2A
SCHEMBL28665811 0.75
SCHEMBL1320532 0.75 KMT2A (0.51) KMT2A
SCHEMBL15758762 0.75 KMT2A (0.51) KMT2A
SCHEMBL376615 0.75 KMT2A (0.51) KMT2A

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-10010539-B2 Pyrazole, triazole and tetrazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 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-10010539-B2 Pyrazole, triazole and tetrazole orexin receptor antagonists HCRTR2, HCRTR1, NPY5R ALDH1A1 2378/4885HSD11B1 606/4885MEN1 1836/4885

“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.