SCHEMBL10105708

SCHEMBL10105708

Cc1c(Cc2ccc(Cl)cc2C#N)ncnc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOS2 P35228 7/20 0.34
CYP2D6 P10635 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 2/20 0.32
P2RX3 P56373 2/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
NOS1 P29475 2/20 0.32
P2RX2 Q9UBL9 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
HPGD P15428 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
SCHEMBL10105712 0.86 APLNR (0.38) GPR119LMNAJAK2S1PR1
SCHEMBL10105707 0.83 SLC5A1 (0.36) KDM4EMAPTTDP1CYP2D6SLC6A2
SCHEMBL10105706 0.81 CNR1 (0.30) CNR1CNR2
SCHEMBL10105725 0.73
SCHEMBL10105714 0.72 TRPA1 (0.38) SLC6A4
SCHEMBL10105732 0.72 PTGS2 (0.37) GPR119L3MBTL1
SCHEMBL10105771 0.71 GPR119 (0.43) CNR1CNR2GPR119KDM4ENOS2
SCHEMBL10105711 0.69 DHODH (0.45) KDM4ESLC6A4
SCHEMBL10105727 0.68 AAK1 (0.32) AAK1
SCHEMBL10108025 0.67 GPR119 (0.43) CNR1CNR2GPR119P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R CNR1 24/4885CNR2 8/4885GPR119 1/4885

“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.