SCHEMBL585530

SCHEMBL585530

CCCCOC(=O)/C=C/c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.60
ATM Q13315 1/20 0.44
ALOX5 P09917 1/20 0.43
ESR1 P03372 1/20 0.43
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MET P08581 2/20 0.42
FDPS P14324 1/20 0.41

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
SCHEMBL585531 1.00 APP (0.60) APPATMALOX5ESR1TTR
SCHEMBL798603 0.88 TTR (0.57) APPALOX5TTRDPP4HPGD
SCHEMBL798602 0.88 TTR (0.57) APPALOX5TTRDPP4HPGD
SCHEMBL2232401 0.83 APP (0.78) APPALOX5ESR1TTRDPP4
SCHEMBL19358980 0.80 APP (0.70) APPALOX5
SCHEMBL19358981 0.80 APP (0.70) APPALOX5
SCHEMBL6789736 0.80 APP (0.61) APPATMESR1LMNASMN1; SMN2
SCHEMBL6789739 0.80 APP (0.61) APPATMESR1LMNASMN1; SMN2
SCHEMBL19244334 0.78 APP (0.66) APPATMESR1LMNASMN1; SMN2
SCHEMBL19244333 0.78 APP (0.66) APPATMESR1LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R APP 1433/4885ATM 4876/4885ALOX5 650/4885

“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.