SCHEMBL12124623

SCHEMBL12124623

O=c1sc2cc(CCCBr)ccc2n1CCN1CCCCCC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.79
▸ SIGMAR1 Q99720 2/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ ADRA2B P18089 1/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ HRH1 P35367 1/20 0.75

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
SCHEMBL1325550 0.88 TMEM97 (0.79) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL29860557 0.88 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL1325469 0.88 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL16216949 0.88 SIGMAR1 (0.87) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12124588 0.88 TMEM97 (0.79) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL23339346 0.88 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12124778 0.88 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL1325413 0.88 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12359945 0.88 SIGMAR1 (0.87) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29781243 0.87 TMEM97 (0.98) TMEM97SIGMAR1ADRA2AADRA2BADRA2C

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
EP-3102204-B1 HIGHLY SELECTIVE SIGMA 1 RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHOPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE UNIV OF MISSISSIPPI (US) 2021-05-05 — — EP disclosed
US-9724435-B2 Highly selective sigma receptor ligands and radioligands as probes in nociceptive processing and the pathphysiological study of memory deficits and cognitive disorders THE UNIVERSITY OF MISSISSIPPI (US) 2017-08-08 — — US disclosed
US-9724435-B2 Highly selective sigma receptor ligands and radioligands as probes in nociceptive processing and the pathphysiological study of memory deficits and cognitive disorders THE UNIVERSITY OF MISSISSIPPI (US) 2017-08-08 — — US disclosed
US-9604926-B2 Highly selective sigma receptor radioligands THE UNIVERSITY OF MISSISSIPPI (US) 2017-03-28 — — US disclosed
US-9604926-B2 Highly selective sigma receptor radioligands THE UNIVERSITY OF MISSISSIPPI (US) 2017-03-28 — — US disclosed
WO-2015134545-A2 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND CONITIVE DISORDERS THE UNIVERSITY OF MISSISSIPPI (US) 2015-09-11 — — WO disclosed
US-20140328755-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2014-11-06 — — US disclosed
US-20140328755-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2014-11-06 — — US disclosed
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIV MISSISSIPPI (US) 2014-10-23 — — US disclosed
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIV MISSISSIPPI (US) 2014-10-23 — — US disclosed
US-8809381-B2 Highly selective sigma receptor ligands THE UNIVERSITY OF MISSISSIPPI (US) 2014-08-19 — — US disclosed
US-8809381-B2 Highly selective sigma receptor ligands THE UNIVERSITY OF MISSISSIPPI (US) 2014-08-19 — — US disclosed
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-11-17 — — US disclosed
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-11-17 — — US disclosed
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS L'UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2011-08-11 — — US disclosed
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS L'UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2011-08-11 — — US disclosed
US-20100329978-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIVERSITY OF MISSISSIPPI (US) 2010-12-30 — — US disclosed
US-20100329978-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIVERSITY OF MISSISSIPPI (US) 2010-12-30 — — US disclosed
WO-2009026227-A2 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS THE UNIVERSITY OF MISSISSIPPI (US) 2009-02-26 — — 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 (5 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-20100329978-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRL1, CNR1 TMEM97 8/4885SIGMAR1 1/4885ADRA2A 40/4885
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 TMEM97 9/4885SIGMAR1 1/4885ADRA2A 22/4885
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 TMEM97 9/4885SIGMAR1 1/4885ADRA2A 22/4885
US-20140328755-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS SIGMAR1, OPRL1, OPRK1 TMEM97 6/4885SIGMAR1 1/4885ADRA2A 142/4885
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS SIGMAR1, MSR1, TMEM97 TMEM97 3/4885SIGMAR1 1/4885ADRA2A 73/4885

“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.

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