SCHEMBL2644

SCHEMBL2644

CC(C)CC(NC=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
SLC6A4 P31645 18/20 0.57
SLC6A3 Q01959 18/20 0.57
SLC6A2 P23975 12/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR2A P28223 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL9123539 0.87 SLC6A4 (0.44) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL7187224 0.84 SLC6A4 (0.67) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL7184970 0.84 SLC6A4 (0.67) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2739172 0.84 SLC6A4 (0.67) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2111 0.83 SLC6A4 (0.48) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL2314 0.83 SLC6A4 (0.65) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL8167375 0.82 SLC6A4 (0.67) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL14089440 0.81 SLC6A4 (0.60) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL14089422 0.81 SLC6A4 (0.60) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL9117724 0.81 SLC6A4 (0.65) CYP3A4ALOX15TSHRTP53SLC6A4

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
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS 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
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 CYP3A4 741/4885ALOX15 1691/4885TSHR 566/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CYP3A4 3448/4885ALOX15 217/4885TSHR 3392/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 CYP3A4 1493/4885ALOX15 132/4885TSHR 761/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CYP3A4 3448/4885ALOX15 217/4885TSHR 3392/4885

“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.