SCHEMBL5013970

SCHEMBL5013970

O=C(c1cc(F)ccc1F)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 5/20 0.54
MGLL Q99685 2/20 0.51
ABHD6 Q9BV23 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
CACNA2D1 P54289 4/20 0.49
CACNB1 Q02641 4/20 0.49
CACNA1B Q00975 3/20 0.49
CACNA1C Q13936 3/20 0.49
CACNA1G O43497 2/20 0.49
CACNA1A O00555 1/20 0.48

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
SCHEMBL5013045 0.86 ALDH1A1 (0.57) GPX4MGLLCACNA2D1CACNB1CACNA1B
SCHEMBL5014235 0.83 HSP90AA1 (0.64) GPX4MGLLABHD6CACNA2D1CACNB1
SCHEMBL24496202 0.83 GPX4 (0.53) GPX4MGLLABHD6CACNA2D1CACNB1
SCHEMBL5011593 0.81 TSHR (0.64) GPX4MGLL
SCHEMBL5009483 0.78 USP2 (0.70) MGLLCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3085217 0.76 CES2 (0.52) HDAC8
SCHEMBL3089158 0.75 HDAC8 (0.50) HDAC8
SCHEMBL917195 0.74 GPX4 (0.69) GPX4MGLLABHD6CACNA2D1CACNB1
SCHEMBL29944128 0.74 TSHR (0.62) HDAC8
SCHEMBL4752752 0.74 NPSR1 (0.68) CACNA2D1CACNB1CACNA1BCACNA1C

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-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 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 (1 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-20080306087-A1 Therapeutic Agents NLN, BDNF, GAP43 GPX4 341/4885MGLL 639/4885ABHD6 939/4885

“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.