SCHEMBL2310135

SCHEMBL2310135

COc1cccc(CC(=O)NCC(OC)OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
CCR3 P51677 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
OPRK1 P41145 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL17462480 0.88 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL29097833 0.87 TAAR1 (0.60) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL27973340 0.86 KMT2A (0.52) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL17462497 0.85 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL8566606 0.80 MEN1 (0.49) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL28037513 0.78 KMT2A (0.52) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL5767226 0.76 MEN1 (0.43) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL4845542 0.76 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9ATAAR1
SCHEMBL10646677 0.76 MEN1 (0.60) MEN1KMT2AHTTTDP1
SCHEMBL2310865 0.75 STING1 (0.54) MEN1KMT2ANPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172202-B1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INT (DE) 2020-01-29 EP disclosed
EP-2892891-B1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2019-07-31 EP disclosed
US-RE46886-E1 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-05 US disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO 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
WO-2014039434-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 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 (3 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-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 MEN1 1764/4885KMT2A 3415/4885NPC1 2955/4885
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 MEN1 4473/4885KMT2A 3603/4885NPC1 2235/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 MEN1 1788/4885KMT2A 4223/4885NPC1 1683/4885

“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.