SCHEMBL4098226

SCHEMBL4098226

c1ccc(C2CCN(CCC3CCCc4sccc43)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
SLC18A3 Q16572 1/20 0.51
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.51
DRD2 P14416 1/20 0.48
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 2/20 0.41

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 SCHEMBL4108518 0.94 SIGMAR1 (0.55) SIGMAR1SLC18A3CYP19A1TBXAS1DRD2
SCHEMBL4113484 0.88 SIGMAR1 (0.50) SIGMAR1SLC18A3CYP19A1TBXAS1DRD2
SCHEMBL4107490 0.88 DRD2 (0.51) SIGMAR1CYP19A1TBXAS1DRD2MEN1
SCHEMBL4106870 0.88 CYP19A1 (0.49) SIGMAR1CYP19A1TBXAS1DRD2
SCHEMBL4108931 0.87 DRD2 (0.54) SIGMAR1SLC18A3CYP19A1TBXAS1DRD2
SCHEMBL4111513 0.87 SIGMAR1 (0.47) SIGMAR1CYP19A1TBXAS1DRD2
SCHEMBL4107419 0.87 GID4 (0.47) SIGMAR1SLC18A3CYP19A1TBXAS1DRD2
SCHEMBL4101634 0.85 CYP19A1 (0.47) SIGMAR1CYP19A1TBXAS1DRD2
SCHEMBL4107036 0.85 DRD2 (0.54) SIGMAR1CYP19A1TBXAS1DRD2
Oxalic Acid SCHEMBL4102628 0.85 HTR2C (0.49) SIGMAR1CYP19A1TBXAS1DRD2

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-1829869-A1 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP 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
EP-1829869-A1 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP 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 SIGMAR1 1/4885SLC18A3 521/4885CYP19A1 1958/4885
US-20120238567-A1 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS SIGMAR1, TMEM97, OPRM1 SIGMAR1 1/4885SLC18A3 521/4885CYP19A1 1958/4885

“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.