SCHEMBL3233270

SCHEMBL3233270

CC[C@H](N)CNc1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
VDR P11473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL12327881 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL8348988 0.75 RAPGEF4 (0.52) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL4965137 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL16378563 0.74 ALDH1A1 (0.44) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL27370223 0.74 KMT2A (0.50) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL22677453 0.73 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL9435169 0.72 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL11333572 0.72 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL11351786 0.71 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4
SCHEMBL18622662 0.71 KAT2B (0.47) SMN1; SMN2MAPTMEN1KMT2ARAPGEF4

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-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 SMN1; SMN2 2466/4885MAPT 263/4885MEN1 926/4885

“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.