SCHEMBL12124504

SCHEMBL12124504

Cc1ccc2c(c1)oc(=O)n2CCCCN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.61
HTR2A P28223 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HTR1A P08908 4/20 0.59
HTR7 P34969 4/20 0.59

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
SCHEMBL12124495 0.89 HTR2A (0.61) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL15958316 0.87 HTR1A (0.59) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL16216950 0.86 SLC6A2 (0.82) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124635 0.85 SLC6A2 (0.72) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124499 0.82 SLC6A2 (0.84) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124704 0.82 HTR1A (0.82) HTR1AHTR7
SCHEMBL12124497 0.82 SLC6A2 (0.70) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL12124494 0.77 SLC6A2 (0.72) SLC6A2HTR2ASLC6A4SLC6A3HTR1A
SCHEMBL13367653 0.77 SIGMAR1 (0.65)
SCHEMBL12124503 0.77 SLC6A2 (0.72) SLC6A2HTR2ASLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIV MISSISSIPPI (US) 2014-10-23 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-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 (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-20100329978-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRL1, CNR1 SLC6A2 244/4885HTR2A 138/4885SLC6A4 184/4885
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 SLC6A2 241/4885HTR2A 45/4885SLC6A4 215/4885
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 SLC6A2 241/4885HTR2A 45/4885SLC6A4 215/4885
US-20110280804-A1 HIGHLY SELECTIVE SIGMA RECEPTOR RADIOLIGANDS SIGMAR1, MSR1, TMEM97 SLC6A2 193/4885HTR2A 149/4885SLC6A4 90/4885

“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.