SCHEMBL772590

SCHEMBL772590

[CH2]CN1CCN(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP19 O94966 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7904697 0.80 P2RX7 (0.39) GAANPC1RAB9AUSP19SLC6A2
SCHEMBL18391585 0.78 GAA (0.36) GAANPC1RAB9AUSP19SLC6A2
SCHEMBL22230513 0.78 GAA (0.40) GAANPC1RAB9AUSP19SLC6A2
SCHEMBL12311449 0.78 GAA (0.40) GAANPC1RAB9A
SCHEMBL14447305 0.77 GAA (0.39) GAANPC1RAB9AUSP19
SCHEMBL21000344 0.77 GAA (0.35) GAANPC1RAB9AUSP19
SCHEMBL14357416 0.77 GAA (0.39) GAANPC1RAB9AUSP19
SCHEMBL772181 0.75 PIK3CD (0.35) GAANPC1RAB9A
SCHEMBL2619229 0.75 PIK3CD (0.55) GAANPC1RAB9AUSP19
SCHEMBL4024910 0.75 GAA (0.38) GAANPC1RAB9ASLC6A2SLC6A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US claimed
EP-3453714-A2 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF Suzhou Neupharma Co., Ltd (CN) 2019-03-13 EP claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-08-02 US claimed
EP-0394484-B1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed
US-5036065-A Antiarrythmic agents, anesthetics, calcium antagonists TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-07-30 US claimed
EP-0077720-B1 BIPHENYL ALKYL CARBOXYLATED DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1984-07-25 EP claimed
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US disclosed
EP-3453714-B1 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF SUZHOU NEUPHARMA CO LTD (CN) 2020-11-04 EP disclosed
US-10766920-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-08 US disclosed
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-01-23 US disclosed
US-10344048-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-07-09 US disclosed
EP-3453714-A2 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF Suzhou Neupharma Co., Ltd (CN) 2019-03-13 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
EP-0394484-B1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP disclosed
US-5036065-A Antiarrythmic agents, anesthetics, calcium antagonists TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-07-30 US disclosed
EP-0394484-A1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-10-31 EP 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 (7 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-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 GAA 691/4885NPC1 380/4885RAB9A 2171/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 GAA 374/4885NPC1 1131/4885RAB9A 2410/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 GAA 691/4885NPC1 380/4885RAB9A 2171/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 GAA 995/4885NPC1 2385/4885RAB9A 3278/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 GAA 691/4885NPC1 380/4885RAB9A 2171/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 GAA 691/4885NPC1 380/4885RAB9A 2171/4885
US-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 GAA 691/4885NPC1 380/4885RAB9A 2171/4885

“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.