SCHEMBL2656736

SCHEMBL2656736

O=C1C2=C(CCCC2)C(O)N1Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 1/20 0.40
P2RX7 Q99572 1/20 0.40
CA12 O43570 1/20 0.40
DAO P14920 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2654971 0.79 CYP1A2 (0.43) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL2655588 0.76 KDM4E (0.49) HCRTR1HCRTR2TSHRMAPTKDM4E
SCHEMBL29636246 0.75 HPGD (0.46) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL17962620 0.75 HPGD (0.46) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL2644965 0.71 TAOK1 (0.43) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL289504 0.68 HCRTR1 (0.59) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL298888 0.68 HCRTR1 (0.59) HCRTR1HCRTR2TSHRMAPTTDP1
SCHEMBL1239220 0.67 L3MBTL1 (0.56) HCRTR1HCRTR2TSHRACHE
SCHEMBL11865286 0.67 ATM (0.59) HCRTR1HCRTR2MAPTTDP1KDM4E
SCHEMBL28554314 0.67 DAO (0.49) HCRTR1HCRTR2MAPTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 HCRTR1 4451/4885HCRTR2 4027/4885TSHR 2480/4885

“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.