SCHEMBL1019877

SCHEMBL1019877

CCOC(=O)c1ccc2c(c1)CCNC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 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
SCHEMBL31532288 1.00 CA12 (0.49) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1019876 0.99 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL19590797 0.94 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL30782362 0.94 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL2819829 0.91 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6160892 0.88 CA12 (0.54) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL28331916 0.87 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29784680 0.84 ASIC3 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1035136 0.84 ASIC3 (0.47) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1264208 0.82 F2 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954773-A PSMA compounds, pharmaceutical compositions comprising the same and uses thereof 苏州威智创科生物有限公司 2025-05-09 CN disclosed
WO-2025092841-A1 PSMA COMPOUND, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF 山东威智知科药业有限公司 2025-05-08 WO disclosed
EP-3172202-B1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INT (DE) 2020-01-29 EP disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 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
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-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
EP-1998620-A4 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-09-02 EP disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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 CA12 3302/4885CA1 3074/4885CA2 881/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 CA12 3231/4885CA1 1332/4885CA2 1727/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 CA12 3231/4885CA1 1332/4885CA2 1727/4885

“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.