SCHEMBL1324801

SCHEMBL1324801

O=c1[nH]c2ccc(CCCF)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
HTR2C P28335 7/20 0.49
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
TMEM97 Q5BJF2 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CMA1 P23946 1/20 0.40
KIF11 P52732 1/20 0.39

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
SCHEMBL8114295 0.86 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9685780 0.84 HTR1A (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL1325447 0.84 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL7332557 0.83 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9684052 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL8786271 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL175879 0.83 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9684200 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3ADRD2
Bromide SCHEMBL7797195 0.82 HTR1A (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9164783 0.81 HTR1A (0.47) HTR1AHTR2CPDE3BPDE3ADRD2

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 12 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
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
EP-3102204-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) 2016-12-14 EP 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-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

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-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 HTR1A 34/4885HTR2C 218/4885PDE3B 3580/4885
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS SIGMAR1, MSR1, TMEM97 HTR1A 115/4885HTR2C 33/4885PDE3B 2495/4885

“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.