SCHEMBL6989480

SCHEMBL6989480

O=C(c1nc2ccccc2nc1O)N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2B P41595 1/20 0.52
MAPK14 Q16539 1/20 0.52
SPR P35270 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MGLL Q99685 2/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CCR3 P51677 1/20 0.47
CCR5 P51681 1/20 0.47
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47

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
SCHEMBL3696474 0.90 CYP2C9 (0.56) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL6990112 0.84 CYP2C9 (0.54) CYP2C9CYP2C19HTR2BMAPK14SPR
SCHEMBL6989187 0.78 FABP4 (0.51)
SCHEMBL6987231 0.78 PROKR1 (0.51) SPRMGLL
SCHEMBL6989102 0.77 HSD11B1 (0.50) SPRMEN1KMT2AMGLLALDH1A1
SCHEMBL17730097 0.76 HTT (0.69) CYP2C9CYP2C19HTR2BMAPK14SPR
SCHEMBL3707318 0.76 SCD5 (0.47) MEN1KMT2A
SCHEMBL6989185 0.76 TACR3 (0.48) SPRMEN1KMT2AMGLLALDH1A1
SCHEMBL6986268 0.76 HCRTR1 (0.47) CCR3
SCHEMBL4959434 0.74 ALDH1A1 (0.59) CYP2C9CYP2C19HTR2BMAPK14SPR

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 3227/4885HTR2B 3109/4885

“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.