SCHEMBL5013971

SCHEMBL5013971

O=C(C1CCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.68
CNR2 P34972 4/20 0.68
ALDH1A1 P00352 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
GPX4 P36969 3/20 0.62
KMT2A Q03164 1/20 0.58
CACNA2D1 P54289 2/20 0.53
CACNA1B Q00975 2/20 0.53
CACNB1 Q02641 2/20 0.53
CACNA1C Q13936 2/20 0.53
CACNA1G O43497 1/20 0.53

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
SCHEMBL917195 0.79 GPX4 (0.69) GPX4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL17281595 0.77 GPX4 (0.68) GPX4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24496176 0.77 GPX4 (1.00) GPX4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL11892988 0.73 ALDH1A1 (0.81) CNR1CNR2ALDH1A1NPSR1KDM4E
SCHEMBL16769444 0.72 KMT2A (0.82) ALDH1A1GPX4KMT2ACACNA2D1CACNA1B
SCHEMBL24496402 0.72 GPX4 (0.64) GPX4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13309468 0.72 KMT2A (0.82) ALDH1A1GPX4KMT2ACACNA2D1CACNA1B
SCHEMBL3298085 0.72 DRD2 (0.47) CNR1CNR2GPX4
SCHEMBL15266317 0.72 MGLL (0.69) CNR1CNR2GPX4CACNA2D1CACNA1B
SCHEMBL17276651 0.71 GPX4 (0.56) GPX4CACNA2D1CACNA1BCACNB1CACNA1C

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 6 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
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

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 CNR1 173/4885CNR2 209/4885ALDH1A1 500/4885

“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.