SCHEMBL2511077

SCHEMBL2511077

CCCN1Cc2ccc(OC(=O)c3cnccc3NC(=O)OC(C)(C)C)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
LIPE Q05469 1/20 0.34
NAMPT P43490 3/20 0.34
F10 P00742 2/20 0.34
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
CNR2 P34972 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IDO1 P14902 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL950258 0.72 ATR (0.53) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL2511076 0.71 PRMT5 (0.37) LIPECNR2PRMT5WDR77
SCHEMBL12190376 0.69 NAMPT (0.49) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL933049 0.69 KDM4C (0.46) NAMPTIDO1CYP17A1
SCHEMBL3638129 0.68 GAA (0.34)
SCHEMBL5551442 0.68 SIRT3 (0.47) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL22750417 0.67 CYP17A1 (0.40) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL2210869 0.67 NAMPT (0.47) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL28764741 0.67 NAMPT (0.44) ACVR1BTGFBR1ACVRL1NAMPTIDO1
SCHEMBL5785610 0.67 KDM4E (0.51) ACVR1BTGFBR1ACVRL1NAMPTCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B DRD2 198/4885ACVR1B 2530/4885TGFBR1 1802/4885

“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.