SCHEMBL14768522

SCHEMBL14768522

Cc1ccc2c(c1C)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
NR1H2 P55055 2/20 0.57
MAPK1 P28482 1/20 0.48
ADORA1 P30542 2/20 0.45
UCHL1 P09936 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ACACB O00763 1/20 0.44
SCN9A Q15858 1/20 0.43
ABHD6 Q9BV23 2/20 0.43
NAMPT P43490 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HDAC1 Q13547 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
SCHEMBL15502944 0.90 ESR2 (0.53) ESR2NR1H2MAPK1ADORA1MAPT
SCHEMBL31680222 0.88 ESR2 (0.61) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL2117366 0.88 ESR2 (0.61) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL3605554 0.87 NR1H2 (0.62) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL13012501 0.87 NR1H2 (0.62) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL20216030 0.86 ESR2 (0.55) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL13074471 0.85 ESR2 (0.54) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL17018766 0.85 ESR2 (0.54) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL2123250 0.85 NR1H2 (0.56) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL12489154 0.85 ESR2 (0.54) ESR2NR1H2MAPK1ADORA1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46886-E1 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-05 US disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 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

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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 ESR2 3478/4885NR1H2 2154/4885MAPK1 1326/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 ESR2 2798/4885NR1H2 1653/4885MAPK1 947/4885

“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.