SCHEMBL5013039

SCHEMBL5013039

O=C(c1cccnc1Cl)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP3A5 P20815 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPX4 P36969 4/20 0.53
CACNA2D1 P54289 5/20 0.51
CACNB1 Q02641 5/20 0.51
CACNA1B Q00975 4/20 0.51
CACNA1C Q13936 3/20 0.51
CACNA1G O43497 1/20 0.51
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
CACNA1A O00555 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1863115 0.82 POLB (0.63) NPSR1MEN1MAPK1KMT2APOLB
SCHEMBL5013045 0.80 ALDH1A1 (0.57) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1976542 0.78 POLB (0.65) KMT2APOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL31350860 0.78 CYP3A4 (0.69) CYP3A4CYP3A5MEN1MAPK1KMT2A
SCHEMBL1865263 0.77 POLB (0.63) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL31351144 0.76 NPSR1 (0.69) NPSR1MEN1MAPK1KMT2AMAPT
SCHEMBL13149251 0.76 ALDH1A1 (0.68) CYP3A4MEN1KMT2APOLBALDH1A1
SCHEMBL2002157 0.76 POLB (0.61) KMT2APOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3764825 0.75 POLB (0.61) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL14459989 0.74 POLB (0.60) MEN1KMT2APOLBMAPTALDH1A1

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-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US 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 CYP3A4 2910/4885CYP3A5 1913/4885NPSR1 49/4885

“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.