SCHEMBL21995903

SCHEMBL21995903

O=C(O)c1n[nH]c2c1CC1(CC2)OCCO1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 17/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
PTPN1 P18031 1/20 0.38

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
SCHEMBL21995734 0.80 GABRP (0.44) KMT2A
SCHEMBL21995880 0.80 KMT2A (0.39) HCAR2KMT2ATSHR
SCHEMBL19140523 0.77 HCAR2 (0.56) HCAR2KMT2ATSHR
SCHEMBL16517037 0.77 HCAR2 (0.56) HCAR2KMT2ATSHR
SCHEMBL18365778 0.77 HCAR2 (0.51) HCAR2KMT2ATSHR
SCHEMBL18366359 0.73 HCAR2 (0.51) HCAR2KMT2ATSHR
SCHEMBL18365934 0.73 HCAR2 (0.57) HCAR2KMT2ATSHR
SCHEMBL18365795 0.72 HCAR2 (0.50) HCAR2KMT2ATSHR
SCHEMBL12643454 0.71 LMNA (0.54)
SCHEMBL18365939 0.71 HCAR2 (0.54) HCAR2KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
WO-2020112846-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2020-06-04 WO disclosed
WO-2020112846-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2020-06-04 WO 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-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 HCAR2 154/4885KMT2A 3188/4885TSHR 313/4885

“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.