SCHEMBL2387289

SCHEMBL2387289

COC(C(=O)N(C)OC)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.43
GFER P55789 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTGS2 P35354 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL2389749 0.99 HIF1A (0.43) HIF1AGFERCYP1A2CYP3A4CYP2C19
SCHEMBL2386588 0.88 HIF1A (0.46) HIF1AMAPTALDH1A1GAAKDM4E
SCHEMBL2388867 0.81 ALDH1A1 (0.39) MAPTALDH1A1NPSR1RAB9ANPC1
SCHEMBL2386409 0.79 FAAH (0.34) FAAH
SCHEMBL2386408 0.79 CCNA2 (0.40) TP53
SCHEMBL2391097 0.77 FAAH (0.39) ALDH1A1FAAH
SCHEMBL2387287 0.76 MAPT (0.43) HIF1AMAPTALDH1A1RAB9ANPC1
SCHEMBL10329424 0.75 ALDH1A1 (0.46) CYP3A4ALDH1A1GAAPKML3MBTL1
SCHEMBL2388610 0.74 MGLL (0.43) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL2387667 0.74 NOTUM (0.51) ALDH1A1FAAH

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-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
CN-104710385-A PDE10 inhibitors and related compositions and methods OMEROS CORP 2015-06-17 CN disclosed
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 US disclosed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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 (6 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HIF1A 1757/4885GFER 4473/4885CYP1A2 1040/4885

“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.