SCHEMBL4107490

SCHEMBL4107490

Clc1ccc(C2CCN(CCC3CCCc4sccc43)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
CYP19A1 P11511 1/20 0.49
TBXAS1 P24557 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
DRD3 P35462 4/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.40
LSS P48449 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
Oxalic Acid SCHEMBL4107494 0.94 DRD2 (0.45) DRD2CYP19A1TBXAS1SIGMAR1DRD3
SCHEMBL4113484 0.88 SIGMAR1 (0.50) DRD2CYP19A1TBXAS1SIGMAR1DRD3
SCHEMBL4106870 0.88 CYP19A1 (0.49) DRD2CYP19A1TBXAS1SIGMAR1DRD3
SCHEMBL4098226 0.88 SIGMAR1 (0.60) DRD2CYP19A1TBXAS1SIGMAR1MEN1
SCHEMBL4107419 0.87 GID4 (0.47) DRD2CYP19A1TBXAS1SIGMAR1DRD3
SCHEMBL4107036 0.85 DRD2 (0.54) DRD2CYP19A1TBXAS1SIGMAR1KCNH2
SCHEMBL4101634 0.85 CYP19A1 (0.47) DRD2CYP19A1TBXAS1SIGMAR1
Oxalic Acid SCHEMBL4108518 0.83 SIGMAR1 (0.55) DRD2CYP19A1TBXAS1SIGMAR1KMT2A
Oxalic Acid SCHEMBL4102628 0.83 HTR2C (0.49) DRD2CYP19A1TBXAS1SIGMAR1
Oxalic Acid SCHEMBL4108924 0.83 SIGMAR1 (0.48) DRD2CYP19A1TBXAS1SIGMAR1DRD3

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
US-8492563-B2 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-23 US claimed
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-20 US claimed
US-8227625-B2 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-24 US claimed
US-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-03 US claimed
EP-1996573-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO claimed
US-8492563-B2 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-23 US disclosed
US-8492563-B2 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-23 US disclosed
US-8492563-B2 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-23 US disclosed
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-20 US disclosed
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-20 US disclosed
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-20 US disclosed
US-8227625-B2 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-24 US disclosed
US-8227625-B2 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-24 US disclosed
US-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-03 US disclosed
US-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-03 US disclosed
US-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-03 US disclosed
EP-1996573-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 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 (2 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-20090221572-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS SIGMAR1, TMEM97, OPRM1 DRD2 43/4885CYP19A1 1958/4885TBXAS1 1186/4885
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS SIGMAR1, TMEM97, OPRM1 DRD2 43/4885CYP19A1 1958/4885TBXAS1 1186/4885

“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.