SCHEMBL12124449

SCHEMBL12124449

O=c1oc2ccccc2n1C/C=C/CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HTR1A P08908 4/20 0.58
▸ HTR7 P34969 4/20 0.58
▸ SLC6A2 P23975 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL12124483 1.00 GAA (0.60) GAAMAPTATMMEN1KMT2A
SCHEMBL12124406 0.84 HTR1A (0.82) GAAMAPTATMMEN1KMT2A
SCHEMBL12124457 0.82 SLC6A2 (0.75) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124485 0.82 SLC6A2 (0.75) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124489 0.74 CBX7 (0.55) —
SCHEMBL12124544 0.74 DRD2 (0.76) HTR1AHTR7
SCHEMBL12124706 0.73 HTR1A (1.00) HTR1AHTR7
SCHEMBL12124597 0.72 HTR1A (0.61) MEN1KMT2AHTR1AHTR7
SCHEMBL12124704 0.72 HTR1A (0.82) HTR1AHTR7
SCHEMBL12124530 0.72 HTR1A (0.82) HTR1AHTR7

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 17 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
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

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 GAA 4551/4885MAPT 4660/4885ATM 3090/4885
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 GAA 4619/4885MAPT 4558/4885ATM 3169/4885
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 GAA 4619/4885MAPT 4558/4885ATM 3169/4885
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 GAA 3116/4885MAPT 1629/4885ATM 3900/4885
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS SIGMAR1, MSR1, TMEM97 GAA 4357/4885MAPT 4746/4885ATM 2637/4885

“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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