SCHEMBL16292932

SCHEMBL16292932

CCN(CC)CCCCNCc1cc(CN[C]=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ CHRM2 P08172 3/20 0.39
▸ KDM5B Q9UGL1 8/20 0.38
▸ KDM5C P41229 7/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ KDM5A P29375 6/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ KDM4A O75164 2/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM5D Q9BY66 1/20 0.34
▸ CCR4 P51679 2/20 0.34

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
SCHEMBL18880300 0.85 CHRM2 (0.42) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL16292934 0.84 CHRM2 (0.40) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL15994215 0.83 CHRM2 (0.42) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL16006899 0.81 KDM5B (0.45) CHRM2KDM5BKDM5CCXCR4KDM5A
SCHEMBL18880314 0.80 KDM5C (0.41) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL16293037 0.80 CHRM2 (0.44) S1PR1CHRM2KDM5BKDM5CKDM5A
SCHEMBL16006930 0.79 CHRM2 (0.41) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL15994510 0.79 KDM5B (0.63) S1PR1CHRM2KDM5BKDM5CCXCR4
SCHEMBL16293035 0.79 CHRM2 (0.43) S1PR1CHRM2KDM5BKDM5CKDM5A
SCHEMBL16293034 0.79 CHRM2 (0.43) S1PR1CHRM2KDM5BKDM5CKDM5A

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-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
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 S1PR1 3369/4885CHRM2 3004/4885KDM5B 27/4885

“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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