SCHEMBL466899

SCHEMBL466899

Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68

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
SCHEMBL7294981 0.93 SIGMAR1 (0.77) SIGMAR1
SCHEMBL8549837 0.90 CCR3 (0.63) SIGMAR1
Hydrochloric Acid SCHEMBL8681764 0.88 CCR3 (0.61)
SCHEMBL7294940 0.88 SIGMAR1 (0.70) SIGMAR1
SCHEMBL7296120 0.87 ALDH1A1 (0.65)
SCHEMBL7302397 0.86 SLC6A3 (0.68)
SCHEMBL13450806 0.86 KCNH2 (0.60)
SCHEMBL7295004 0.86 SIGMAR1 (0.69) SIGMAR1
SCHEMBL7335232 0.86 SIGMAR1 (0.65) SIGMAR1
SCHEMBL9737745 0.86 SLC6A2 (0.63) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169855-A PIPERIDINE ETHER DERIVATIVES AS PSYCHOTROPIC DRUGS OR PLANT FUNGICIDES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-12-08 US claimed
EP-0449187-A2 Piperidin ether derivatives as psychotropic drugs or plant fungicides THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP claimed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
US-9789115-B2 Use of sigma ligands in opioid-induced hyperalgesia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-17 US disclosed
US-9782483-B2 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2017-10-10 US disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
EP-2571501-B1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-12-05 US disclosed
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-05-02 US disclosed
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-29 US disclosed
EP-2460519-A1 Use of sigma ligands in bone cancer pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-06 EP disclosed
EP-2415471-A1 Use of sigma ligands in opioid-induced hyperalgesia Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-02-08 EP disclosed
EP-2388005-A1 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-11-23 EP disclosed
EP-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed
US-5169855-A PIPERIDINE ETHER DERIVATIVES AS PSYCHOTROPIC DRUGS OR PLANT FUNGICIDES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-12-08 US disclosed
EP-0449187-A2 Piperidin ether derivatives as psychotropic drugs or plant fungicides THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 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 (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-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 SIGMAR1 3/4885
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA OPRL1, OPRK1, OPRM1 SIGMAR1 5/4885
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY SIGMAR1, SFN, TMEM97 SIGMAR1 1/4885
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885

“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.