SCHEMBL6990112

SCHEMBL6990112

O=C(c1cc2ccccc2nc1O)N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
MAPK14 Q16539 3/20 0.54
HTR2B P41595 2/20 0.54
SPR P35270 1/20 0.51
CCR3 P51677 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MGLL Q99685 2/20 0.49

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
SCHEMBL6989480 0.84 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14HTR2BSPR
SCHEMBL6990102 0.80 PROKR1 (0.50) SPRMGLL
SCHEMBL4143776 0.75 CYP2C9 (0.54) CYP2C9CYP2C19MAPK14HTR2BSPR
SCHEMBL3696474 0.75 CYP2C9 (0.56) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL6987252 0.74 HSD11B1 (0.50) SPRKMT2A
SCHEMBL17730097 0.73 HTT (0.69) CYP2C9CYP2C19MAPK14HTR2BSPR
SCHEMBL6990139 0.72 SCD5 (0.53)
SCHEMBL12936207 0.72 CCR2 (0.61) CYP2C9CYP2C19MAPK14HTR2BSPR
SCHEMBL3455111 0.71 SLC6A2 (0.64) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL30442105 0.71 CYP2C9 (0.73) CYP2C9CYP2C19MAPK14HTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 CYP2C9 3038/4885CYP2C19 3227/4885MAPK14 1080/4885

“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.