SCHEMBL586296

SCHEMBL586296

Cc1ccc(CCCO)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
BCHE P06276 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IGF1R P08069 2/20 0.38
ALOX15 P16050 2/20 0.38
CA2 P00918 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SKP2 Q13309 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL12022127 0.88 DAO (0.49) DAOCYP4A11CYP4F2ALDH1A1CA2
SCHEMBL81865 0.85 SLC6A2 (0.46) DAOCYP4A11CYP4F2BCHEIGF1R
SCHEMBL18551846 0.83 DAO (0.59) DAOPTGS1PTGS2SKP2HDAC1
SCHEMBL20382591 0.82 SKP2 (0.56) DAOALDH1A1CA2SKP2CYP3A4
SCHEMBL80635 0.82 HTT (0.46) DAOCYP4A11BCHEALDH1A1IGF1R
SCHEMBL80684 0.82 ALDH1A1 (0.47) CYP4A11CYP4F2BCHEALDH1A1IGF1R
SCHEMBL8747545 0.81 DAO (0.46) DAOIGF1RALOX15PTGS1PTGS2
SCHEMBL715391 0.79 CYP4F2 (0.46) DAOCYP4A11CYP4F2ALDH1A1PTGS1
SCHEMBL22246783 0.79 HTR2A (0.53) DAOALDH1A1PTGS1PTGS2SKP2
SCHEMBL7857328 0.79 DAO (0.45) DAOIGF1RALOX15SKP2CHRM5

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 DAO 910/4885CYP4A11 304/4885CYP4F2 601/4885

“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.