SCHEMBL21648528

SCHEMBL21648528

COc1ccc2[nH]c3c(c2c1)CCN1[C@H]3CC[C@@]2(OC)CCC(=O)C[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 6/20 0.47
▸ SIRT1 Q96EB6 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL21648543 1.00 MAPKAPK2 (0.47) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL21648557 0.87 CHRNA7 (0.44) MAPTALDH1A1HTR2BKDM4EHPGD
SCHEMBL21648556 0.87 CHRNA7 (0.44) MAPTALDH1A1HTR2BKDM4EHPGD
SCHEMBL21648506 0.82 MAPKAPK2 (0.46) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL21648504 0.82 MAPKAPK2 (0.46) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL8039623 0.73 SIRT1 (0.56) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL8041738 0.73 MAPKAPK2 (0.54) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL30363189 0.72 MAPKAPK2 (0.56) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL30363250 0.72 MAPKAPK2 (0.56) MAPKAPK2SIRT1MAPTALDH1A1HTR2B
SCHEMBL30363083 0.71 MAPKAPK2 (0.55) MAPKAPK2SIRT1MAPTALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof UNIVERSITY OF SHARJAH (AE) 2021-06-17 — — US disclosed
WO-2020021489-A2 DISCOVERY OF NOVEL FIRST IN CLASS NATURE-INSPIRED COMPOUNDS TARGETING THE MITOCHONDRIAL FUNCTION AND PHARMACEUTICAL COMPOSITION THEREOF UNIVERSITY OF SHARJAH (AE) 2020-01-30 — — 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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof NDUFAB1, TFAM, CS MAPKAPK2 2630/4885SIRT1 710/4885MAPT 3368/4885

“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.

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