SCHEMBL10105707

SCHEMBL10105707

Cc1c(Cc2ccccc2C#N)ncnc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOB P27338 2/20 0.34
SLC6A4 P31645 2/20 0.33
MAPK1 P28482 2/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A2 P23975 1/20 0.33
LMNA P02545 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
CYP19A1 P11511 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32

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 0.83 APLNR (0.38) LMNAMKNK2
SCHEMBL10105708 0.83 CNR1 (0.40) KDM4ESLC6A4SLC6A2LMNACYP2D6
SCHEMBL10105711 0.81 DHODH (0.45) SLC5A1SLC5A2ALDH1A1KDM4ESLC6A4
SCHEMBL10105706 0.77 CNR1 (0.30)
SCHEMBL10105714 0.71 TRPA1 (0.38) MAOBSLC6A4HTR2AHTR2CMKNK2
SCHEMBL10105796 0.68 DCK (0.44) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL10105727 0.67 AAK1 (0.32)
SCHEMBL20037003 0.66 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBSLC6A4MAPK1
SCHEMBL10105721 0.66 GPR119 (0.41)
SCHEMBL10105732 0.66 PTGS2 (0.37) L3MBTL1

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 SLC5A1 214/4885SLC5A2 160/4885ALDH1A1 1743/4885

“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.