SCHEMBL168891

SCHEMBL168891

N#CCCC1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.37
SLC6A3 Q01959 9/20 0.37
SLC6A4 P31645 9/20 0.37
HTR2A P28223 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA2C P18825 1/20 0.36
CHEK1 O14757 3/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL27895202 0.91 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL27912353 0.89 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Propionic Acid SCHEMBL72834 0.87 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL1746181 0.83 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL1035508 0.82 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL21069936 0.82
SCHEMBL21070848 0.82
SCHEMBL6689960 0.82
Hydrochloric Acid SCHEMBL3945988 0.80 SLC6A4 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL11652607 0.79 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2

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
US-4304818-A POLYISOCYANURATE-OXAZOLIDONES FROM POLYISOCYANATE AND POLYEPOXIDE HITACHI, LTD. (JP) 1981-12-08 US claimed
US-3979365-A FROM A POLYOXAZOLIDINE PREPOLYMER AND POLYISOCYANATE HITACHI, LTD. (JA) 1976-09-07 US claimed
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-03-02 US disclosed
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-05-23 US disclosed
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-04-25 US disclosed
CN-101824008-B Preparation method of N, N-dimethyl aminopropyl morpholine ZHANGJIAGANG CITY DAWEI ASSISTANTS INDUSTRY CO LTD 2012-05-30 CN disclosed
EP-2424865-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
EP-2393813-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
CN-101824008-A Preparation method of N,N-dimethyl aminopropyl morpholine ZHANGJIAGANG CITY DAWEI ASSISTANTS INDUSTRY CO LTD 2010-09-08 CN disclosed
WO-2010091067-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed
US-4304818-A POLYISOCYANURATE-OXAZOLIDONES FROM POLYISOCYANATE AND POLYEPOXIDE HITACHI, LTD. (JP) 1981-12-08 US disclosed
US-4070416-A POLYFUNCTIONAL ISOCYANATES AND EPOXIDES, ISOCYANURATE-OXAZOLIDOLE POLYMERS HITACHI, LTD. (JA) 1978-01-24 US disclosed
US-3979365-A FROM A POLYOXAZOLIDINE PREPOLYMER AND POLYISOCYANATE HITACHI, LTD. (JA) 1976-09-07 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 (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-10934272-B2 Pyridyl derivatives as bromodomain inhibitors BRD4, BRD3, BRDT SLC6A2 4250/4885SLC6A3 3952/4885SLC6A4 4522/4885
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT SLC6A2 4250/4885SLC6A3 3952/4885SLC6A4 4522/4885
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SLC6A2 4595/4885SLC6A3 4461/4885SLC6A4 4729/4885

“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.