SCHEMBL15636850

SCHEMBL15636850

O=C(CNCc1cc(C(=O)O)ccn1)NC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.55
▸ SIGMAR1 Q99720 5/20 0.51
▸ CXCR3 P49682 1/20 0.48
▸ KDM5B Q9UGL1 3/20 0.46
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ KDM4A O75164 2/20 0.43
▸ KDM5C P41229 2/20 0.43
▸ KDM4B O94953 1/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL15636721 0.90 SIGMAR1 (0.52) DRD4SIGMAR1CXCR3KDM5BKDM4A
SCHEMBL15637052 0.84 DRD4 (0.50) DRD4SIGMAR1CXCR3KDM5BGRIN2B
SCHEMBL15637048 0.84 DRD4 (0.50) DRD4SIGMAR1CXCR3KDM5BGRIN2B
SCHEMBL15636697 0.80 KDM5C (0.48) DRD4SIGMAR1KDM5BKDM4AKDM5C
SCHEMBL18686365 0.79 DRD4 (0.52) DRD4SIGMAR1CXCR3KDM5BGRIN2B
SCHEMBL15635975 0.79 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16291580 0.78 CCR3 (0.55) —
SCHEMBL15637624 0.78 MCHR1 (0.46) DRD4SIGMAR1KDM5BKDM4AKDM5C
SCHEMBL20779104 0.76 SIGMAR1 (0.43) SIGMAR1KDM5BKDM4AKDM5CKDM6B
SCHEMBL19574680 0.76 TSHR (0.43) SIGMAR1KDM5BKDM4AKDM5CKDM4B

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 27 patents — showing the first 20. 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-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
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-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
CN-107434803-A Histone demethylase inhibitor 吉利德科学公司 2017-12-05 — — CN disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
CN-104981458-B Inhibitors of histone demethylases 吉利德科学公司 2017-07-21 — — CN 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-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-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-9051261-B2 4-hydroxybutyric acid analogs CONCERT PHARMACEUTICALS, INC. (US) 2015-06-09 — — US disclosed
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (5 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 DRD4 4678/4885SIGMAR1 3287/4885CXCR3 4495/4885
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 DRD4 4676/4885SIGMAR1 3285/4885CXCR3 4534/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 DRD4 4678/4885SIGMAR1 3287/4885CXCR3 4495/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 DRD4 4678/4885SIGMAR1 3287/4885CXCR3 4495/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 DRD4 4678/4885SIGMAR1 3287/4885CXCR3 4495/4885

“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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