SCHEMBL6989176

SCHEMBL6989176

Cc1ccccc1CC1CCCN(C(=O)c2nc3ccccc3nc2O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 2/20 0.39
POLB P06746 1/20 0.39
EED O75530 1/20 0.38
HSD11B1 P28845 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
SCHEMBL6989102 0.84 HSD11B1 (0.50) KMT2AMEN1AKR1C3ALDH1A1HSD11B1
SCHEMBL6988441 0.82 EED (0.43) KMT2AMEN1AKR1C3ALDH1A1POLB
SCHEMBL6989185 0.81 TACR3 (0.48) KMT2AMEN1ALDH1A1HSD11B1
SCHEMBL6986268 0.81 HCRTR1 (0.47) HCRTR1HCRTR2HSD11B1
SCHEMBL6989130 0.78 RIPK1 (0.45) KMT2AMEN1HCRTR1HCRTR2AKR1C3
SCHEMBL6989129 0.78 EED (0.60) MAPTALDH1A1POLBEED
SCHEMBL3696411 0.73 PTK2 (0.58) KMT2AMEN1MAPTALDH1A1
SCHEMBL3696474 0.70 CYP2C9 (0.56)
SCHEMBL6988824 0.69 FABP4 (0.45) KMT2AMEN1HCRTR1HCRTR2
SCHEMBL3707318 0.68 SCD5 (0.47) KMT2AMEN1HCRTR1HCRTR2POLB

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 EPHX2 3700/4885KMT2A 4481/4885MEN1 4880/4885

“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.