SCHEMBL16305485

SCHEMBL16305485

O=Cc1ccnc(CNCC(=O)NC2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.55
▸ DRD4 P21917 4/20 0.55
▸ SIGMAR1 Q99720 7/20 0.54
▸ CCR2 P41597 2/20 0.50
▸ BACE1 P56817 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ MCHR1 Q99705 1/20 0.46
▸ POLB P06746 1/20 0.46

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 0.89 SIGMAR1 (0.52) DRD2DRD4SIGMAR1CCR2BACE1
SCHEMBL16305523 0.89 SIGMAR1 (0.52) DRD2DRD4SIGMAR1CCR2BACE1
SCHEMBL16293637 0.86 BCHE (0.59) DRD2DRD4SIGMAR1BACE1
SCHEMBL18880312 0.85 BCHE (0.53) DRD2DRD4SIGMAR1BACE1
SCHEMBL15636721 0.79 SIGMAR1 (0.52) DRD2DRD4SIGMAR1CCR2MCHR1
SCHEMBL18880282 0.74 BACE1 (0.48) BACE1
SCHEMBL15636850 0.73 DRD4 (0.55) DRD4SIGMAR1
SCHEMBL239527 0.73 DRD4 (0.71) DRD2DRD4SIGMAR1BACE1MCHR1
SCHEMBL239528 0.73 DRD4 (0.71) DRD2DRD4SIGMAR1BACE1MCHR1
SCHEMBL9972648 0.72 CCR2 (0.87) DRD2DRD4CCR2

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 11 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 claimed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
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
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-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 DRD2 4072/4885DRD4 4105/4885SIGMAR1 2943/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A DRD2 4072/4885DRD4 4105/4885SIGMAR1 2943/4885

“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.

Send feedback