SCHEMBL681107

SCHEMBL681107

C=C1CN(C(C)(C)C)CCN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP2B6 P20813 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL25917167 0.88 CYP2B6 (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12313767 0.81
SCHEMBL20224775 0.80 MAPK1 (0.31) MAPK1
SCHEMBL681146 0.74 TOP2A (0.43)
SCHEMBL10241074 0.74 MAPK1 (0.54) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL25498662 0.70
SCHEMBL23709167 0.70
SCHEMBL15696997 0.69
SCHEMBL20469382 0.67 RIPK1 (0.44) MAPK1
SCHEMBL4305164 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-20210139437-A1 METHODS AND PROCESSES FOR THE PREPARATION OF KDM1A INHIBITORS IMAGO BIOSCIENCES, INC. 2021-05-13 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-03-02 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
US-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-22 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (11 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIN2D 4797/4885GRIN3B 3965/4885CHRM2 3190/4885
US-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF KCNQ3, KCNQ5, KCNQ4 GRIN2D 388/4885GRIN3B 394/4885CHRM2 138/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 GRIN2D 3821/4885GRIN3B 3106/4885CHRM2 1399/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GRIN2D 4789/4885GRIN3B 4091/4885CHRM2 3416/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B GRIN2D 3133/4885GRIN3B 1628/4885CHRM2 4271/4885
US-20210139437-A1 METHODS AND PROCESSES FOR THE PREPARATION OF KDM1A INHIBITORS KDM1A, KDM4A, KDM7A GRIN2D 3257/4885GRIN3B 3420/4885CHRM2 4054/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIN2D 4797/4885GRIN3B 3965/4885CHRM2 3190/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA GRIN2D 1819/4885GRIN3B 2514/4885CHRM2 4769/4885
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIN2D 4797/4885GRIN3B 3965/4885CHRM2 3190/4885
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIN2D 4797/4885GRIN3B 3965/4885CHRM2 3190/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE GRIN2D 4810/4885GRIN3B 4783/4885CHRM2 4221/4885

“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.