SCHEMBL11410

SCHEMBL11410

C#CCCCC(=O)N1CCC(N(CCOC)CCOC)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.38
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ACKR3 P25106 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL11196 0.80 NPC1 (0.47) NPC1GNAI3GNAO1GNAI1KMT2A
SCHEMBL11106 0.75 HSD11B1 (0.44) DRD2DRD3GLA
SCHEMBL10888 0.75 NPC1 (0.41) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL11909639 0.75 NPC1 (0.41) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL13226743 0.74 NPC1 (0.50) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL13206742 0.72 NPC1 (0.47) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL22875150 0.70 NPC1 (0.67) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL31575913 0.70 ATM (0.65) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11923486 0.69 ATM (0.44) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL11908890 0.69 ATM (0.44) NPC1GNAI3GNAI1ALDH1A1KMT2A

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 22 patents — showing the first 20. 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-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
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
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 492/4885RAB9A 3822/4885GNAI3 2090/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885RAB9A 3822/4885GNAI3 2090/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885RAB9A 3822/4885GNAI3 2090/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 NPC1 492/4885RAB9A 3822/4885GNAI3 2090/4885

“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.