SCHEMBL2074880

SCHEMBL2074880

COc1ccc2c([c]c(C)n2CC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ GAA P10253 1/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ CNR2 P34972 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ MTNR1B P49286 1/20 0.40
▸ CBX7 O95931 1/20 0.40
▸ CDYL2 Q8N8U2 1/20 0.40
▸ CDYL Q9Y232 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
SCHEMBL2073237 0.80 AKR1B1 (0.46) KDM4E
SCHEMBL2071739 0.75 ALDH1A1 (0.41) MAPTGAACNR2ALDH1A1KDM4E
SCHEMBL2071988 0.73 HRH3 (0.44) GAAALDH1A1KDM4EMEN1HPGD
SCHEMBL2074257 0.71 CNR1 (0.46) CNR2ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL4541878 0.70 ALDH1A1 (0.53) MAPTGAACNR2ALDH1A1KDM4E
SCHEMBL2075064 0.68 ALDH1A1 (0.45) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL8360274 0.68 ALDH1A1 (0.52) MAPTALDH1A1HPGDKMT2APOLB
SCHEMBL4375652 0.67 ALDH1A1 (0.50) MAPTPTGS2ALDH1A1KDM4EMEN1
SCHEMBL8356890 0.67 PLA2G2A (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9321597 0.67 MAPT (1.00) MAPTGAARAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 — — EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 — — US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 — — US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 — — EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 — — 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 MAPT 32/4885GAA 456/4885PTGS2 3192/4885

“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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