SCHEMBL1923

SCHEMBL1923

CCCC(NC=O)C1(c2ccccc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC6A4 P31645 8/20 0.36
EPHX1 P07099 1/20 0.35
SLC6A3 Q01959 7/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
SLC6A2 P23975 5/20 0.34
ALDH1A1 P00352 1/20 0.33
MME P08473 2/20 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
SCHEMBL2111 0.87 SLC6A4 (0.48) SLC6A4SLC6A3OPRK1SLC6A2ALDH1A1
SCHEMBL9123539 0.83 SLC6A4 (0.44) MEN1KMT2ATAAR1SLC6A4SLC6A3
SCHEMBL2805 0.82 SLC6A4 (0.43) SLC6A4SLC6A3OPRM1OPRD1OPRK1
SCHEMBL2793 0.81 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2
SCHEMBL9116253 0.81 HDAC4 (0.36) CTSLCTSBCTSKMEN1KMT2A
Hydrochloric Acid SCHEMBL2449 0.81 SLC6A4 (0.43) SLC6A4SLC6A3OPRM1OPRD1OPRK1
SCHEMBL2190 0.78 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL7794188 0.72 SLC6A4 (0.49) TAAR1SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL9863819 0.72 SLC6A4 (0.47) SLC6A4SLC6A3OPRK1SLC6A2ALDH1A1
SCHEMBL2644 0.70 CYP3A4 (0.58) SLC6A4SLC6A3OPRK1SLC6A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US disclosed
US-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US disclosed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091508-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed
US-6127424-A N-METHYL-1-(1-(4-CHLOROPHENYL)CYCLOBUTYL)-3-METHYLBUTYLAMINE OR A PHARMACEUTICALLY SUITABLE SALT AS AN EXAMPLE; BIOAVAILABILITY; SIDE EFFECT REDUCTION KNOLL AKTIENGESESLLSCHAFT (DE) 2000-10-03 US disclosed
EP-0828484-A1 USE OF ARYL SUBSTITUTED CYCLOBUTYL ALKYL AMINES FOR THE TREATMENT OF OBESITY Knoll AG (DE) 1998-03-18 EP disclosed
WO-1996038134-A1 USE OF ARYL SUBSTITUTED CYCLOBUTYL ALKYL AMINES FOR THE TREATMENT OF OBESITY KNOLL AG (DE) 1996-12-05 WO disclosed
US-4814352-A ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE THE BOOTS COMPANY PLC (GB) 1989-03-21 US disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 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 (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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 CTSL 3688/4885CTSB 3725/4885CTSK 4250/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CTSL 1408/4885CTSB 999/4885CTSK 1136/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 CTSL 783/4885CTSB 428/4885CTSK 1660/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CTSL 1408/4885CTSB 999/4885CTSK 1136/4885

“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.