SCHEMBL8512456

SCHEMBL8512456

O=C1CC[C@@H](c2ccc(I)nc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MPO P05164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8514392 0.80 CHRNB2 (0.43) KMT2ATDP1
SCHEMBL8515623 0.80 ESR2 (0.40) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2408324 0.80 CHRNB2 (0.43) KMT2ATDP1
SCHEMBL17420698 0.78 KDM4E (0.42) ESR2KDM4EGLAHTTKMT2A
SCHEMBL3703094 0.77 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2295980 0.77 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25048716 0.76 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3703416 0.76 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL20037881 0.76 TLR8 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21367862 0.74 KDM4E (0.47) ESR2KDM4EGLAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-10 — — US claimed
EP-2643298-A1 SUBSTITUTED CYCLOPENTYL - AZINES AS CASR- ACTIVE COMPOUNDS Leo Pharma A/S (DK) 2013-10-02 — — EP claimed
CN-103228629-A Substituted cyclopentyl -azines as CaSR- active compounds LEO PHARMA AS 2013-07-31 — — CN claimed
WO-2012069402-A1 SUBSTITUTED CYCLOPENTYL - AZINES AS CASR- ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-05-31 — — WO claimed
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-10 — — US disclosed
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-10 — — US disclosed
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-10 — — US disclosed
EP-2643298-A1 SUBSTITUTED CYCLOPENTYL - AZINES AS CASR- ACTIVE COMPOUNDS Leo Pharma A/S (DK) 2013-10-02 — — EP disclosed
CN-103228629-A Substituted cyclopentyl -azines as CaSR- active compounds LEO PHARMA AS 2013-07-31 — — CN disclosed
WO-2012069402-A1 SUBSTITUTED CYCLOPENTYL - AZINES AS CASR- ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-05-31 — — WO disclosed
WO-2012069402-A1 SUBSTITUTED CYCLOPENTYL - AZINES AS CASR- ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-05-31 — — 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-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS CASR, PTH1R, CALCR ESR2 400/4885PDE4A 609/4885PDE4B 732/4885

“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.

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