SCHEMBL5013045

SCHEMBL5013045

O=C(c1ccccc1F)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MGLL Q99685 1/20 0.57
CACNA2D1 P54289 5/20 0.56
CACNB1 Q02641 5/20 0.56
CACNA1B Q00975 4/20 0.56
CACNA1C Q13936 3/20 0.56
CACNA1G O43497 2/20 0.56
GPX4 P36969 2/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CACNA1A O00555 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
TACR3 P29371 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL4752752 0.89 NPSR1 (0.68) ALDH1A1L3MBTL1CACNA2D1CACNB1CACNA1B
SCHEMBL5013970 0.86 GPX4 (0.54) MGLLCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5013039 0.80 CYP3A4 (0.56) ALDH1A1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL22305400 0.80 TSHR (0.80) ALDH1A1L3MBTL1MAPTTSHRMEN1
SCHEMBL11715149 0.80 TSHR (0.80) ALDH1A1L3MBTL1MAPTTSHRMEN1
SCHEMBL24496202 0.79 GPX4 (0.53) MGLLCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5014235 0.78 HSP90AA1 (0.64) MGLLCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL31350963 0.78 MAOB (0.80) ALDH1A1CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL22523766 0.78 NPSR1 (0.68) ALDH1A1L3MBTL1CACNA2D1CACNB1CACNA1B
SCHEMBL13504079 0.77 TSHR (0.63) ALDH1A1L3MBTL1MAPTTSHRMEN1

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 7 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
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 ALDH1A1 500/4885L3MBTL1 4407/4885MGLL 639/4885

“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.