SCHEMBL5014235

SCHEMBL5014235

O=C(c1ccc(F)cc1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.64
MAOB P27338 1/20 0.58
GPX4 P36969 3/20 0.58
MGLL Q99685 2/20 0.58
HSD11B1 P28845 1/20 0.58
CHRNA7 P36544 1/20 0.56
ABHD6 Q9BV23 1/20 0.54
POLB P06746 1/20 0.54
CACNA2D1 P54289 1/20 0.52
CACNA1B Q00975 1/20 0.52
CACNB1 Q02641 1/20 0.52
CACNA1C Q13936 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
SCHEMBL31350963 0.86 MAOB (0.80) MAOBGPX4CHRNA7POLBCACNA2D1
SCHEMBL31350717 0.86 MAOB (0.80) MAOBPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL5011593 0.84 TSHR (0.64) MAOBGPX4MGLL
SCHEMBL5013970 0.83 GPX4 (0.54) GPX4MGLLABHD6CACNA2D1CACNA1B
SCHEMBL5009483 0.81 USP2 (0.70) MAOBMGLLCACNA2D1CACNA1BCACNB1
SCHEMBL917471 0.79 CACNA2D1 (0.59) GPX4MGLLABHD6CACNA2D1CACNA1B
SCHEMBL5010693 0.79 RHOC (0.61) MAOBGPX4MGLLABHD6CACNA2D1
SCHEMBL5013045 0.78 ALDH1A1 (0.57) MAOBGPX4MGLLCACNA2D1CACNA1B
SCHEMBL6985975 0.78 CA12 (0.71) HSP90AA1HSD11B1POLB
SCHEMBL22305103 0.78 CA12 (0.71) HSP90AA1HSD11B1POLB

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 HSP90AA1 200/4885MAOB 59/4885GPX4 341/4885

“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.