SCHEMBL3083396

SCHEMBL3083396

O=CN1CCN(C2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2318967 0.98 MEN1 (0.43) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL13632342 0.98 MEN1 (0.43) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL13632346 0.98 MEN1 (0.43) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL5429121 0.95 MEN1 (0.41) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL1543398 0.90 HRH3 (0.40) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL5016034 0.88 MEN1 (0.43) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL38657628 0.83 MEN1 (0.47) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL17850483 0.83 MEN1 (0.47) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL1306349 0.81 MEN1 (0.44) MEN1KMT2AKDM4EL3MBTL3L3MBTL1
SCHEMBL28452884 0.81 L3MBTL3 (0.41) MEN1KMT2AKDM4EL3MBTL3L3MBTL1

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-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-7790720-B2 Compounds comprising an oxazole or thiazole moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2010-09-07 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-11-06 US disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
US-20070173511-A1 Cyclohexyl sulfonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 US disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 MEN1 2146/4885KMT2A 3625/4885KCNH2 2712/4885
US-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS MEN1 1628/4885KMT2A 2103/4885KCNH2 4215/4885
US-20070173511-A1 Cyclohexyl sulfonamide derivatives HRH3, HRH4, HRH1 MEN1 3462/4885KMT2A 338/4885KCNH2 1064/4885
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses OXER1, OXTR, OGFR MEN1 2802/4885KMT2A 2724/4885KCNH2 1005/4885

“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.