SCHEMBL14633623

SCHEMBL14633623

COC(=O)c1ccc(N2CCN(c3ccccc3C)CC2)c(N)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.75
▸ KDM4E B2RXH2 8/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ALDH1A1 P00352 8/20 0.65
▸ MAPT P10636 4/20 0.65
▸ HPGD P15428 3/20 0.65
▸ LMNA P02545 1/20 0.57
▸ PRMT1 Q99873 1/20 0.56
▸ GAA P10253 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ GLA P06280 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ ADRA1D P25100 1/20 0.49

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
SCHEMBL14633997 0.85 KDM4E (0.65) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL7432215 0.84 KDM4E (0.97) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL195575 0.82 KDM4E (1.00) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL31038267 0.82 KDM4E (1.00) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL19291257 0.82 KDM4E (0.53) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL14633480 0.81 MAPT (0.69) NPC1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL14633519 0.81 KDM4E (0.51) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL7435442 0.80 KDM4E (0.75) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL15111342 0.79 ALDH1A1 (0.49) NPC1KDM4ERAB9ANPSR1SMN1; SMN2
SCHEMBL14633914 0.79 DRD2 (0.55) NPC1KDM4ERAB9ANPSR1SMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938262-B2 Benzamides MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
US-9938262-B2 Benzamides MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
US-9938262-B2 Benzamides MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
EP-3263568-A1 BENZAMIDES Merck Patent GmbH (DE) 2018-01-03 — — EP disclosed
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 — — EP disclosed
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 — — EP disclosed
US-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 — — US disclosed
US-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 — — US disclosed
US-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 — — US disclosed
US-9498475-B2 Benzamides MERCK PATENT GMBH (DE) 2016-11-22 — — US disclosed
US-20160022670-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2016-01-28 — — US disclosed
US-20160022670-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2016-01-28 — — US disclosed
US-9181226-B2 Benzamides MERCK PATENT GMBH (DE) 2015-11-10 — — US disclosed
US-9181226-B2 Benzamides MERCK PATENT GMBH (DE) 2015-11-10 — — US disclosed
US-9181226-B2 Benzamides MERCK PATENT GMBH (DE) 2015-11-10 — — US disclosed
EP-2734517-A1 BENZAMIDES Merck Patent GmbH (DE) 2014-05-28 — — EP disclosed
WO-2013012848-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 — — WO disclosed
US-20130023522-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 — — US disclosed
US-20130023522-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 — — US disclosed
US-20130023522-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 — — 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 (3 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-20160022670-A1 BENZAMIDES FSHR, GNRHR, LHCGR NPC1 3935/4885KDM4E 757/4885RAB9A 2364/4885
US-20170022191-A1 BENZAMIDES FSHR, GNRHR, LHCGR NPC1 3935/4885KDM4E 757/4885RAB9A 2364/4885
US-20130023522-A1 BENZAMIDES FSHR, GNRHR, LHCGR NPC1 3787/4885KDM4E 645/4885RAB9A 1887/4885

“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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