SCHEMBL17984963

SCHEMBL17984963

CCN(CC)CCCCNCc1cc(C=NCCC2CCCCC2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.34
▸ BCHE P06276 3/20 0.34
▸ CHRM2 P08172 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BDKRB2 P30411 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ SIRT2 Q8IXJ6 2/20 0.31
▸ RECQL P46063 1/20 0.30
▸ CXCR4 P61073 1/20 0.30

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
SCHEMBL16305539 1.00 SIGMAR1 (0.34) SIGMAR1BCHECHRM2S1PR1DRD2
SCHEMBL20041970 0.88 HPGD (0.34) BCHES1PR1DRD2HPGDMEN1
SCHEMBL16305527 0.83 S1PR1 (0.37) CHRM2S1PR1SIRT2
SCHEMBL16292953 0.83 S1PR1 (0.37) CHRM2S1PR1SIRT2
SCHEMBL16303330 0.82 CHRM2 (0.35) CHRM2S1PR1SIRT2
SCHEMBL16292703 0.82 CHRM2 (0.35) CHRM2S1PR1SIRT2
SCHEMBL16303328 0.82 CHRM2 (0.39) BCHECHRM2S1PR1ACHESIRT2
SCHEMBL16292962 0.82 CHRM2 (0.39) BCHECHRM2S1PR1ACHESIRT2
SCHEMBL16293340 0.81 BDKRB2 (0.43) SIGMAR1BCHECHRM2S1PR1BDKRB2
SCHEMBL15994335 0.80 KDM5B (0.45) HPGDMEN1KMT2ARECQL

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
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US claimed
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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885BCHE 554/4885CHRM2 3004/4885

“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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