SCHEMBL16293034

SCHEMBL16293034

[CH]c1ccnc(CNCCCCN(CC)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ SIRT2 Q8IXJ6 4/20 0.37
▸ CCR4 P51679 3/20 0.37
▸ CACNA2D1 P54289 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM5B Q9UGL1 4/20 0.36
▸ KDM5A P29375 3/20 0.36
▸ KDM5C P41229 3/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM5D Q9BY66 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ CDK1 P06493 1/20 0.35

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
SCHEMBL16293035 1.00 CHRM2 (0.43) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL16293037 0.85 CHRM2 (0.44) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL15994215 0.83 CHRM2 (0.42) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL18880300 0.83 CHRM2 (0.42) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL16006930 0.82 CHRM2 (0.41) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL16303335 0.81 CHRM2 (0.41) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL15637200 0.80 KDM5B (0.58) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16292934 0.80 CHRM2 (0.40) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2
SCHEMBL15994147 0.79 CHRM2 (0.67) CHRM2HSP90AA1HSP90AB1SIRT2CACNA2D1
SCHEMBL16292932 0.79 S1PR1 (0.40) CHRM2S1PR1HSP90AA1HSP90AB1SIRT2

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-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885HSP90AA1 1609/4885

“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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