SCHEMBL16303319

SCHEMBL16303319

CN(C)CC1CCC(CNCc2cc(/C=N/C3CC3)ccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ KDM5A P29375 3/20 0.31
▸ KDM5C P41229 3/20 0.31
▸ KDM5B Q9UGL1 3/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ KDM5D Q9BY66 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL15994123 1.00 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C9PRKCQKDM5A
SCHEMBL18831151 1.00 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C9PRKCQKDM5A
SCHEMBL15994346 0.85 KDM5B (0.35) CYP3A4CYP2D6CYP2C9PRKCQKDM5A
SCHEMBL20041957 0.84 KDM5A (0.32) KDM5AKDM5CKDM5BKDM6BKDM4A
SCHEMBL16305495 0.79 KDM5B (0.43) KDM5AKDM5CKDM5BKDM6BKDM4A
SCHEMBL17984964 0.79 CYP3A4 (0.33) CYP3A4CYP2D6KDM5AKDM5CKDM5B
SCHEMBL17984966 0.79 CYP3A4 (0.33) CYP3A4CYP2D6KDM5AKDM5CKDM5B
SCHEMBL15994045 0.79 CHRM2 (0.36) CYP3A4CYP2D6KDM5AKDM5CKDM5B
SCHEMBL17984968 0.79 CYP3A4 (0.33) CYP3A4CYP2D6KDM5AKDM5CKDM5B
SCHEMBL16006935 0.79 CYP3A4 (0.33) CYP3A4CYP2D6KDM5AKDM5CKDM5B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
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 CYP3A4 2124/4885CYP2D6 1643/4885CYP2C9 1969/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CYP3A4 2124/4885CYP2D6 1643/4885CYP2C9 1969/4885

“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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