SCHEMBL13596002

SCHEMBL13596002

COc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C)cc2)C3c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CACNA1H O95180 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MGLL Q99685 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13596003 0.93 ALDH1A1 (0.53) LMNASMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL13596005 0.90 LMNA (0.44) LMNASMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL13596006 0.88 CACNA1H (0.50) LMNACYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL8218870 0.84 ALDH1A1 (0.54) LMNAHTTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL13596026 0.84 LMNA (0.48) LMNAHTTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8226771 0.81 PKM (0.43) LMNASMN1; SMN2CYP3A4CYP2C9ALDH1A1
SCHEMBL4417927 0.77 GPR119 (0.48) LMNAHTTSMN1; SMN2CACNA1HALDH1A1
SCHEMBL8228027 0.77 CACNA1H (0.48) LMNASMN1; SMN2CACNA1H
SCHEMBL8210221 0.76 ALDH1A1 (0.53) LMNACYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL8228873 0.76 ALDH1A1 (0.48) LMNAHTTSMN1; SMN2KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 LMNA 4180/4885HTT 3980/4885SMN1; SMN2 2012/4885

“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.