SCHEMBL16305523

SCHEMBL16305523

O=C(CNCc1cc(/C=N/C2CC2)ccn1)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.52
▸ DRD2 P14416 3/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ CCR2 P41597 2/20 0.46
▸ BACE1 P56817 6/20 0.45
▸ ACHE P22303 4/20 0.45
▸ BCHE P06276 4/20 0.45
▸ MCHR1 Q99705 1/20 0.44

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
SCHEMBL15995566 1.00 SIGMAR1 (0.52) SIGMAR1DRD2DRD4CCR2BACE1
SCHEMBL16305485 0.89 DRD2 (0.55) SIGMAR1DRD2DRD4CCR2BACE1
SCHEMBL18880282 0.86 BACE1 (0.48) BACE1ACHEBCHE
SCHEMBL17984985 0.77 KDM5B (0.38) —
SCHEMBL16297309 0.77 KMT2A (0.48) —
SCHEMBL16303321 0.77 KMT2A (0.48) —
SCHEMBL16006920 0.77 KDM5B (0.34) —
SCHEMBL16293637 0.76 BCHE (0.59) SIGMAR1DRD2DRD4BACE1ACHE
SCHEMBL18880312 0.76 BCHE (0.53) SIGMAR1DRD2DRD4BACE1ACHE
SCHEMBL15636721 0.75 SIGMAR1 (0.52) SIGMAR1DRD2DRD4CCR2MCHR1

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 6 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — 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 (2 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 SIGMAR1 2943/4885DRD2 4072/4885DRD4 4105/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885DRD2 4072/4885DRD4 4105/4885

“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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