SCHEMBL4124702

SCHEMBL4124702

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 17/20 0.69
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL8210549 0.90 CACNA1H (0.65) CACNA1HGPR119POLB
SCHEMBL8227878 0.89 CACNA1H (0.54) CACNA1HGPR119POLBNPSR1
SCHEMBL8209532 0.88 CACNA1H (0.54) CACNA1HGPR119
SCHEMBL8217950 0.88 CACNA1H (0.54) CACNA1HGPR119
SCHEMBL12876618 0.87 CACNA1H (0.53) CACNA1HMAPTCNR1NPSR1GPR35
SCHEMBL8210129 0.86 CACNA1H (0.66) CACNA1HGPR119POLB
SCHEMBL8212424 0.86 CACNA1H (0.52) CACNA1HGPR119
SCHEMBL8202485 0.85 CACNA1H (0.51) CACNA1HGPR119
SCHEMBL8225731 0.84 CACNA1H (0.48) CACNA1HGPR119
SCHEMBL8228606 0.82 CACNA1H (0.48) CACNA1HGPR119

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
EP-2066316-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2009-06-10 EP disclosed
WO-2008033447-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033447-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 CACNA1H 1231/4885GPR119 165/4885POLB 3548/4885

“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.