SCHEMBL12124682

SCHEMBL12124682

O=c1n(CCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1-c1ccccc1

nearest known ligand 0.95

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.73
HTR1A P08908 1/20 0.55

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
SCHEMBL12124554 0.98 HTR7 (0.69) HTR7
SCHEMBL12124580 0.86
SCHEMBL12124681 0.85
SCHEMBL12124683 0.85
SCHEMBL12124684 0.84 KDM4E (0.54)
SCHEMBL6846689 0.83
SCHEMBL12124546 0.82 TMEM97 (0.57)
SCHEMBL8307601 0.80 HTR1A (0.58) HTR7HTR1A
SCHEMBL12124685 0.80 SLC6A2 (0.68)
SCHEMBL12124676 0.77 HTR7 (0.82) HTR7HTR1A

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 11 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-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-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 (3 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 HTR7 69/4885HTR1A 157/4885
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 HTR7 269/4885HTR1A 34/4885
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS SIGMAR1, MSR1, TMEM97 HTR7 39/4885HTR1A 115/4885

“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.