SCHEMBL3772065

SCHEMBL3772065

Cc1cn(C[C@@H](N)C(C)C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PRMT5 O14744 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
CYP3A4 P08684 2/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
KAT2B Q92831 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SCN4A P35499 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL27343269 0.87 HTR2C (0.64) HTR2AHTR2CKMT2AMEN1PRMT5
SCHEMBL8613304 0.83 MEN1 (0.51) HTR2AHTR2CKMT2AMEN1PRMT5
SCHEMBL27352015 0.80 PRMT5 (0.54) HTR2AHTR2CKMT2AMEN1PRMT5
SCHEMBL665932 0.73 MEN1 (0.56) KMT2AMEN1PRMT5HDAC1HDAC2
SCHEMBL27623160 0.73 HDAC1 (0.46) HTR2AHTR2CKMT2AMEN1PRMT5
SCHEMBL15239437 0.73 HTR6 (0.53) HTR2AKMT2AMEN1HDAC1HDAC2
SCHEMBL8186052 0.72 MEN1 (0.58) KMT2AMEN1PRMT5HDAC1HDAC2
SCHEMBL15241823 0.72 MEN1 (0.54) KMT2AMEN1PRMT5HDAC1HDAC2
SCHEMBL4520729 0.72 MEN1 (0.54) HTR2AHTR2CKMT2AMEN1PRMT5
SCHEMBL8612793 0.70 CNR2 (0.56) KMT2AMEN1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 HTR2A 1471/4885HTR2C 1132/4885KMT2A 4414/4885

“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.