SCHEMBL2071988

SCHEMBL2071988

COc1ccc2c([c]c(C)n2CCN2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ESR1 P03372 3/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2074257 0.90 CNR1 (0.46) ALDH1A1HTR6NPSR1
SCHEMBL4541878 0.75 ALDH1A1 (0.53) ESR1KDM4EALDH1A1GAAHTR6
SCHEMBL8356890 0.74 PLA2G2A (0.52) KDM4EALDH1A1SIGMAR1HTR6MEN1
SCHEMBL2075064 0.74 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10HPGDHTR6
SCHEMBL2074880 0.73 MAPT (0.49) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL8360274 0.73 ALDH1A1 (0.52) ALDH1A1HPGDHTR6KMT2ANPSR1
SCHEMBL2073237 0.73 AKR1B1 (0.46) KDM4E
SCHEMBL4375652 0.72 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1429017 0.70 PIK3CA (0.51) ESR1KDM4EALDH1A1HSD17B10GLA
SCHEMBL23927918 0.70 HTR7 (0.68) HRH3HTR7KDM4EALDH1A1HSD17B10

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
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

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 HRH3 472/4885ESR1 4027/4885HTR7 744/4885

“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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