SCHEMBL4915876

SCHEMBL4915876

CCOC(=O)c1cc2ncn(CCC(C)(C)N)c2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA3 P07451 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TNF P01375 2/20 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
SCHEMBL4914665 0.83 ALDH1A1 (0.40) CA1CA2CA12CA9CA3
SCHEMBL4916141 0.81 NPC1 (0.48) CA1CA2CA12CA9CA7
SCHEMBL4893401 0.80 CNR2 (0.39) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL4889652 0.80 CNR2 (0.41) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL4913399 0.80 NPC1 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4640617 0.79 ALDH1A1 (0.40) CA1CA2CA12CA9CA3
Hydrochloric Acid SCHEMBL4605680 0.78 PRPS1 (0.41) CA1CA2CA12CA9CA3
SCHEMBL4917999 0.76 FGFR1 (0.47) POLBALDH1A1MAPTNPC1MEN1
SCHEMBL4908687 0.76 TSHR (0.41) POLBALDH1A1MAPTRAB9AMEN1
SCHEMBL4640355 0.75 MTNR1A (0.49) CA2POLBALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (2 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CA1 1998/4885CA2 1043/4885CA12 3106/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B CA1 4286/4885CA2 2275/4885CA12 4760/4885

“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.