SCHEMBL3989232

SCHEMBL3989232

CC(C)N1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
STS P08842 2/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MC4R P32245 1/20 0.40

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
SCHEMBL8200179 0.89 TSHR (0.47)
SCHEMBL8213940 0.85 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL8227883 0.84 CACNA1H (0.47) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL14263476 0.84 CACNA1H (0.47) CACNA1H
SCHEMBL4412451 0.83 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL8227847 0.81 HDAC1 (0.53) MEN1KMT2AALDH1A1MAPT
SCHEMBL14263432 0.81 CACNA1H (0.54) CACNA1HMEN1KMT2A
SCHEMBL3992245 0.80 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL14263480 0.80 CACNA1H (0.61) CACNA1H
SCHEMBL8205482 0.79 CACNA1H (0.55) CACNA1HSMN1; SMN2

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 19 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-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
EP-2066316-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2009-06-10 EP disclosed
EP-2061791-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2009-05-27 EP disclosed
EP-2061462-A2 TREATING PAIN, DIABETES AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2009-05-27 EP 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
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
US-20080070892-A1 TREATING PAIN, DIABETES, AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US 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-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS 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
WO-2008033465-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 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 (4 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 CACNA1H 1192/4885MEN1 3422/4885KMT2A 3822/4885
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, CES1, ZDHHC20 CACNA1H 2829/4885MEN1 1687/4885KMT2A 3236/4885
US-20080070892-A1 TREATING PAIN, DIABETES, AND DISORDERS OF LIPID METABOLISM PNLIP, LIPC, LIPE CACNA1H 1761/4885MEN1 3144/4885KMT2A 3229/4885
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 CACNA1H 1231/4885MEN1 3532/4885KMT2A 2918/4885

“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.