SCHEMBL12683029

SCHEMBL12683029

CCOC(=O)c1nn(C)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 6/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22900489 0.84 KMT2A (0.46) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL3797706 0.82 ADORA3 (0.41) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL15568782 0.81 KDM4E (0.43) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL4700865 0.81 ADORA3 (0.47) CYP1A2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10563118 0.80 NPC1 (0.40) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL30130664 0.79 NPC1 (0.39) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL387677 0.78 SMN1; SMN2 (0.42) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL22889786 0.77 KDM4E (0.49) NPSR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13611403 0.77 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL15569312 0.76 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAADORA3

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
EP-2683710-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-19 EP disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
WO-2012122340-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-13 WO disclosed
CN-1227546-A Substituted 1- (3-pyrazolyl) -pyrazoles having herbicidal activity and intermediates for their preparation BAYER AG (DE) 1999-09-01 CN 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 (1 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 1313/4885CYP2D6 1931/4885CYP2C19 1264/4885

“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.