SCHEMBL10888

SCHEMBL10888

C#CCCCC(=O)N1CCC(N(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
BDKRB1 P46663 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 2/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL11909639 1.00 NPC1 (0.41) NPC1KDM1AMAOAMAOBMEN1
SCHEMBL11196 0.91 NPC1 (0.47) NPC1MEN1KMT2AL3MBTL3GNAI3
SCHEMBL11923441 0.78 NPC1 (0.42) NPC1KDM1AMAOAMAOBMEN1
SCHEMBL13673409 0.77 KDM1A (0.45) NPC1KDM1AMAOAMAOBMEN1
SCHEMBL13226743 0.76 NPC1 (0.50) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL11410 0.75 NPC1 (0.40) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL10272432 0.75 KDM1A (0.48) KDM1AMAOAMAOBL3MBTL3ALDH1A1
SCHEMBL12313368 0.75 KDM1A (0.48) KDM1AMAOAMAOBL3MBTL3ALDH1A1
SCHEMBL10289217 0.75 KDM1A (0.48) KDM1AMAOAMAOBL3MBTL3ALDH1A1
SCHEMBL13206742 0.74 NPC1 (0.47) NPC1GNAI3GNAO1GNAI1ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
EP-2491037-B1 QUINAZOLIN-4(3H)-ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LTD (GB) 2014-04-30 EP disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 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-20160264583-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885KDM1A 2979/4885MAOA 620/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885KDM1A 2979/4885MAOA 620/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885KDM1A 2979/4885MAOA 620/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885KDM1A 2979/4885MAOA 620/4885

“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.