SCHEMBL16293429

SCHEMBL16293429

O=C(CNCc1cc(CO)ccn1)N1CCC[C@@H]1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.47
▸ OPRK1 P41145 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 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
SCHEMBL16291439 0.87 HRH3 (0.46) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL16006922 0.87 HRH3 (0.43) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL16310721 0.87 HRH3 (0.46) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL16305497 0.82 HRH3 (0.40) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL15995518 0.82 HRH3 (0.40) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL16293702 0.79 HRH3 (0.45) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL19676471 0.77 KDM2B (0.42) —
SCHEMBL16291521 0.76 KDM5B (0.44) —
SCHEMBL15994165 0.76 HRH3 (0.36) HRH3OPRK1NPC1
SCHEMBL15637611 0.74 DPP4 (0.47) —

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 HRH3 269/4885OPRK1 4321/4885NPC1 3547/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A HRH3 269/4885OPRK1 4321/4885NPC1 3547/4885

“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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