SCHEMBL4558489

SCHEMBL4558489

CC(c1ccccc1)N1CCC(C(N)=O)CC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ RIPK1 Q13546 5/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ CHRM5 P08912 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL28276628 0.84 KMT2A (0.41) TDP1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL28218243 0.80 TDP1 (0.44) TDP1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL4802569 0.78 CHRNB2 (0.50) TDP1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL27696116 0.77 AKR1C3 (0.47) RIPK1
SCHEMBL28292504 0.75 KMT2A (0.47) TDP1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL29136052 0.74 KMT2A (0.46) TDP1KMT2ARIPK1KDM4EALDH1A1
SCHEMBL2703180 0.73 OPRK1 (0.43) TDP1KMT2AOPRM1OPRD1OPRK1
SCHEMBL943677 0.73 OPRK1 (0.43) TDP1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1075333 0.73 OPRK1 (0.43) TDP1KMT2AOPRM1OPRD1OPRK1
SCHEMBL28276595 0.73 RIPK1 (0.45) TDP1KMT2ARIPK1KDM4EALDH1A1

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 — — US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 — — 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 TDP1 795/4885KMT2A 58/4885RIPK1 4302/4885

“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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