SCHEMBL15636711

SCHEMBL15636711

CC(OC(=O)c1ccnc(CN(C(=O)C(F)(F)F)[C@@H]2CCNC2)c1)C(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 15/20 0.40
▸ SLC6A2 P23975 13/20 0.40
▸ SLC6A3 Q01959 10/20 0.38
▸ KCNH2 Q12809 4/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MBTPS1 Q14703 4/20 0.36

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
Dihydrocinnamaldehyde SCHEMBL15636710 0.82 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL15636742 0.80 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL28430884 0.76 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL15636999 0.70 UBE2M (0.42) KCNH2
SCHEMBL15521608 0.66 DCUN1D1 (0.60) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL15637001 0.64 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL18686361 0.62 GPR119 (0.43) —
SCHEMBL18342235 0.62 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL476886 0.62 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL476885 0.62 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-10189787-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-01-29 — — US disclosed
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
US-9611219-B2 — — 2017-04-04 — — US disclosed
US-9611220-B2 — — 2017-04-04 — — US disclosed
EP-2903968-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2016-12-07 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
EP-2903968-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2015-08-12 — — EP disclosed
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US disclosed
WO-2014053491-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-04-10 — — WO 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 (4 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-10189787-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 SLC6A4 4462/4885SLC6A2 4615/4885SLC6A3 4417/4885
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 SLC6A4 4467/4885SLC6A2 4617/4885SLC6A3 4436/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 SLC6A4 4462/4885SLC6A2 4615/4885SLC6A3 4417/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 SLC6A4 4462/4885SLC6A2 4615/4885SLC6A3 4417/4885

“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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