SCHEMBL21995880

SCHEMBL21995880

O=C(c1n[nH]c2c1CC1(CC2)OCCO1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
RBP4 P02753 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
GFER P55789 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL21995903 0.80 HCAR2 (0.51) KMT2ATSHRHCAR2
SCHEMBL21996049 0.74 HCAR2 (0.62) KMT2AHPGDMEN1ALDH1A1TSHR
SCHEMBL21995734 0.73 GABRP (0.44) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL18209687 0.71 TMEM97 (0.49) KMT2AHPGDMEN1ALDH1A1LMNA
SCHEMBL21995872 0.71 SIGMAR1 (0.51) KMT2AHPGDALDH1A1TSHRLMNA
SCHEMBL12643605 0.68 GABRP (0.31)
SCHEMBL30321428 0.67 RBP4 (0.62) TSHRLMNAPOLBMAPK1RBP4
SCHEMBL21995870 0.65 SIGMAR1 (0.52) HPGDALDH1A1TSHRLMNAPOLB
SCHEMBL4753232 0.65
SCHEMBL15997770 0.65 HSD17B10 (0.37) HPGDTSHRLMNA

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 KMT2A 3188/4885HPGD 2166/4885MEN1 4146/4885

“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.