SCHEMBL8212780

SCHEMBL8212780

O=C1N(c2ccc(F)c(Cl)c2)C(c2ccc(-c3ccccc3)cn2)C12CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 14/20 0.53
USP2 O75604 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ROCK2 O75116 1/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL3998065 0.85 CACNA1H (0.66) CACNA1HALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL8210807 0.84 CACNA1H (0.47) CACNA1HTP53MDM2
SCHEMBL8209532 0.82 CACNA1H (0.54) CACNA1H
SCHEMBL8214453 0.75 CACNA1H (0.53) CACNA1H
SCHEMBL8210859 0.75 CACNA1H (0.63) CACNA1H
SCHEMBL12890259 0.74 CACNA1H (0.44) CACNA1H
SCHEMBL8201965 0.73 CACNA1H (0.60) CACNA1HALDH1A1TP53CYP1A2CYP2D6
SCHEMBL12890364 0.73 CACNA1H (0.40) CACNA1H
SCHEMBL8220977 0.73 CACNA1H (0.47) CACNA1HTP53MDM2
SCHEMBL8209985 0.71 CACNA1H (0.61) CACNA1HALDH1A1CYP1A2HSD17B10HPGD

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-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM 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 (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-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 CACNA1H 2929/4885USP2 2773/4885ALDH1A1 741/4885

“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.