SCHEMBL8177728

SCHEMBL8177728

COc1ccc2c(c1)oc(=O)n2CCNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.55
▸ MTNR1A P48039 10/20 0.55
▸ MTNR1B P49286 10/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MET P08581 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NQO2 P16083 2/20 0.50
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CBX7 O95931 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CDYL2 Q8N8U2 1/20 0.46
▸ CDYL Q9Y232 1/20 0.46
▸ CDY1; CDY1B Q9Y6F8 1/20 0.46

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
SCHEMBL8799955 0.87 ALDH1A1 (0.53) KMOMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28948374 0.86 KMO (0.51) KMOMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL8798062 0.83 ALDH1A1 (0.55) KMOMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28948318 0.82 NQO2 (0.51) KMOMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28948346 0.82 MAPT (0.49) KMOALDH1A1LMNAMAPTHPGD
SCHEMBL30219706 0.81 CYP2D6 (0.54) ALDH1A1LMNAMAPTTP53HPGD
SCHEMBL28948321 0.81 CYP2D6 (0.54) ALDH1A1LMNAMAPTTP53HPGD
SCHEMBL28948365 0.81 KMT2A (0.53) KMOALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28948358 0.80 MAOA (0.52) KMOALDH1A1LMNAMAPTHPGD
SCHEMBL28948363 0.80 MAPT (0.47) KMOALDH1A1LMNAMETMAPT

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-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 — — US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 — — US disclosed
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 — — 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 (2 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 KMO 242/4885MTNR1A 1/4885MTNR1B 2/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R KMO 254/4885MTNR1A 1/4885MTNR1B 2/4885

“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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