SCHEMBL7751098

SCHEMBL7751098

CC(C)(C)NCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL10245099 0.90 KMT2A (0.55) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL8367257 0.81 RAB9A (0.51) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL21790566 0.81 RAB9A (0.44) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL680486 0.81 KMT2A (0.57) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL12788408 0.81 KMT2A (0.47) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL4394146 0.80 KMT2A (0.52) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL13811574 0.79 PIK3CD (0.48) KMT2AALDH1A1
SCHEMBL13612784 0.78 RAB9A (0.56) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12259054 0.78 PIK3CD (0.53) KMT2ARAB9ANPC1POLBTDP1
SCHEMBL5424673 0.78 PIK3CD (0.54) KMT2APOLBTDP1MALT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (9 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KMT2A 1452/4885RAB9A 1513/4885NPC1 3672/4885
US-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 KMT2A 711/4885RAB9A 1714/4885NPC1 920/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 KMT2A 3443/4885RAB9A 3778/4885NPC1 4242/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 KMT2A 1406/4885RAB9A 1490/4885NPC1 3877/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 KMT2A 2532/4885RAB9A 1884/4885NPC1 381/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 KMT2A 4225/4885RAB9A 2441/4885NPC1 2824/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 KMT2A 3443/4885RAB9A 3778/4885NPC1 4242/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 KMT2A 3188/4885RAB9A 4494/4885NPC1 2270/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KMT2A 1452/4885RAB9A 1513/4885NPC1 3672/4885

“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.