SCHEMBL8515623

SCHEMBL8515623

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ 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
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SPR P35270 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
SCHEMBL8512456 0.80 ESR2 (0.40) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8514392 0.80 CHRNB2 (0.43) KMT2ATDP1
SCHEMBL2408324 0.80 CHRNB2 (0.43) KMT2ATDP1
SCHEMBL30144812 0.78 KDM4E (0.42) ESR2KDM4EGLAHTTKMT2A
SCHEMBL595630 0.78 KDM4E (0.42) ESR2KDM4EGLAHTTKMT2A
SCHEMBL717834 0.77 ESR2 (0.50) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25048716 0.76 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3703416 0.76 PDE4A (0.48) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL25356663 0.74 KDM4E (0.51) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL16690791 0.74 MAPK1 (0.41) KDM1AMAOAMAOBSPR

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 400/4885HCAR2 62/4885PDE4A 609/4885

“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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