SCHEMBL14537642

SCHEMBL14537642

CCCN(CCCc1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.62
▸ SLC6A4 P31645 2/20 0.47

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
SCHEMBL14537645 0.91 SIGMAR1 (0.52) SIGMAR1SLC6A4
SCHEMBL13248370 0.80 HTR2A (0.44) SIGMAR1
SCHEMBL3123212 0.74 MAPT (0.49) —
SCHEMBL13248373 0.73 TAAR1 (0.47) —
SCHEMBL14882503 0.71 BCHE (0.51) —
SCHEMBL3122301 0.70 BCHE (0.50) —
SCHEMBL14884503 0.70 FFAR1 (0.44) —
SCHEMBL3118612 0.69 TAAR1 (0.52) SLC6A4
SCHEMBL14884504 0.68 BCHE (0.48) —
SCHEMBL3114831 0.67 KCNH2 (0.57) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 — — US disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 — — US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 — — US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 — — US disclosed
WO-2010059711-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-27 — — 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 (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-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885SLC6A4 411/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885SLC6A4 335/4885

“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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