SCHEMBL8210550

SCHEMBL8210550

Fc1cc2nc(Cl)[nH]c2cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.46
CACNA1H O95180 6/20 0.45
CACNA1G O43497 1/20 0.40
CACNA1C Q13936 1/20 0.40
MCHR1 Q99705 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
PDE2A O00408 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL2418522 0.84 EGLN1 (0.49) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL2419896 0.81 CACNA1H (0.44) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL1193108 0.81 ALDH1A1 (0.49) EGLN1KDM4EHPGDMAPTALDH1A1
SCHEMBL2418527 0.81 CACNA1H (0.46) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL8226194 0.79 EGLN1 (0.46) EGLN1CACNA1HCACNA1GCACNA1CMCHR1
SCHEMBL10146527 0.79 MAPT (0.58) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL1440759 0.78 ALDH1A1 (0.47) EGLN1CACNA1HCACNA1GKDM4EHPGD
SCHEMBL2419440 0.78 CACNA1H (0.44) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL12777696 0.76 KDM4E (0.51) EGLN1CACNA1HCACNA1GCACNA1CKDM4E
SCHEMBL21496768 0.75 NPBWR1 (0.43) CACNA1HKDM4EHPGDPOLBMAPT

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-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 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
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-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
WO-2008033468-A2 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF 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 (2 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 EGLN1 2618/4885CACNA1H 1231/4885CACNA1G 1129/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 EGLN1 2754/4885CACNA1H 1386/4885CACNA1G 1264/4885

“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.