SCHEMBL2102

SCHEMBL2102

CCCC(N)C1(c2ccc3cc(Cl)ccc3c2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.54
SLC6A3 Q01959 16/20 0.54
SLC6A2 P23975 8/20 0.52
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
KCNH2 Q12809 3/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2A P28223 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10550753 0.86 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2293 0.85 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2283 0.84 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL10840419 0.82 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL8632358 0.81 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2409 0.81 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL10837947 0.80 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9118545 0.78 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2253 0.78 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2242 0.77 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15

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 16 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
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 SLC6A4 6/4885SLC6A3 29/4885SLC6A2 3/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A3 2196/4885SLC6A2 1538/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 SLC6A4 3009/4885SLC6A3 2057/4885SLC6A2 2691/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A3 2196/4885SLC6A2 1538/4885

“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.