SCHEMBL1031046

SCHEMBL1031046

Cc1ccc(C2(C(=O)Cl)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRM1 P35372 1/20 0.44
MAPT P10636 2/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PKM P14618 2/20 0.37
HDAC4 P56524 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL11282279 0.92 MAPT (0.48) HSD11B1CYP3A4CYP2D6CYP2C9OPRM1
SCHEMBL4810246 0.90 MAPT (0.47) HSD11B1OPRM1MAPTHTR1ENPSR1
SCHEMBL3554737 0.81 HSD11B1 (0.58) HSD11B1ALDH1A1SMN1; SMN2LMNAHDAC4
SCHEMBL5379326 0.81 HSD11B1 (0.45) HSD11B1CYP3A4CYP2D6CYP2C9OPRM1
SCHEMBL351393 0.81 AKR1C1 (0.55) HSD11B1CYP3A4CYP2D6CYP2C9OPRM1
SCHEMBL5644252 0.79 OPRM1 (0.42) HSD11B1OPRM1HDAC4
SCHEMBL29473164 0.79 HDAC1 (0.42) HSD11B1MAPTALDH1A1CES2CES1
SCHEMBL171875 0.79 LMNA (0.47) HSD11B1CYP3A4CYP2D6CYP2C9OPRM1
SCHEMBL17508231 0.79 HSD11B1 (0.46) HSD11B1CYP3A4CYP2C9OPRM1ALDH1A1
SCHEMBL838025 0.79 ALDH1A1 (0.55) HSD11B1CYP3A4MAPTALDH1A1SMN1; 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
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed
US-7671066-B2 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2010-03-02 US disclosed
EP-2044023-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2009-04-08 EP disclosed
WO-2008006509-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2008-01-17 WO disclosed
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A.. 2008-01-17 US 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-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 HSD11B1 107/4885CYP3A4 145/4885CYP2D6 866/4885

“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.