SCHEMBL2331297

SCHEMBL2331297

CN(C)CC1(O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.41
SLC6A4 P31645 14/20 0.41
SLC6A2 P23975 12/20 0.41
OPRM1 P35372 1/20 0.34

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
Hydrochloric Acid SCHEMBL8611493 0.97 SLC6A4 (0.39) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL6138393 0.89
Hydrochloric Acid SCHEMBL4698946 0.86
SCHEMBL17888369 0.77 NPSR1 (0.31)
SCHEMBL7501442 0.75 HTR1A (0.34) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL1994698 0.75 SLC6A4 (0.30) SLC6A3SLC6A4
SCHEMBL17888408 0.74 KDM4E (0.38)
SCHEMBL23089167 0.73 SOS1 (0.31)
SCHEMBL28056995 0.73 SLC6A4 (0.31) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL9177709 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 WO disclosed
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
EP-2356171-A1 SILOXANE COPOLYMERS AND METHODS FOR PRODUCTION THEREOF Wacker Chemie AG (DE) 2011-08-17 EP disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1885770-A1 DEFOAMER FORMULATIONS Wacker Chemie AG (DE) 2008-02-13 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
EP-1753804-A2 METHOD FOR MODIFYING FIBROUS SUBSTRATES WITH SILOXANE COPOLYMERS Wacker Chemie AG (DE) 2007-02-21 EP disclosed
WO-2006128624-A1 DEFOAMER FORMULATIONS WACKER CHEMIE AG (DE) 2006-12-07 WO disclosed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US disclosed
WO-2005121218-A2 METHOD FOR MODIFYING FIBROUS SUBSTRATES WITH SILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2005-12-22 WO disclosed
EP-1572780-A2 HYDROPHILIC COPOLYSILOXANES AND METHOD FOR THE PRODUCTION THEREOF Wacker-Chemie GmbH (DE) 2005-09-14 EP disclosed
WO-2004056907-A2 HYDROPHILIC COPOLYSILOXANES AND METHOD FOR THE PRODUCTION THEREOF WACKER-CHEMIE GMBH (DE) 2004-07-08 WO disclosed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 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 (4 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885

“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.