SCHEMBL2021582

SCHEMBL2021582

NC(=O)c1cc(CC(=O)NC2CCOCC2)c2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.42
IKBKB O14920 1/20 0.42
USP2 O75604 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
CASP1 P29466 3/20 0.38
CASP7 P55210 2/20 0.38
HTR1B P28222 3/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 1/20 0.35
HPGD P15428 2/20 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
SCHEMBL4094487 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2021575 0.73 MAPT (0.43) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2021578 0.71 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL3687749 0.70 MAPT (0.63) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL4094478 0.70 MAPT (0.42) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2020896 0.67 HTR1B (0.44) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL4094483 0.66 CASP1 (0.58) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2044381 0.66 HSD17B10 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2050348 0.65 HSD17B10 (0.46) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2044387 0.65 HSD17B10 (0.46) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 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-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 SMN1; SMN2 1384/4885MEN1 3215/4885KMT2A 2050/4885

“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.