SCHEMBL4553183

SCHEMBL4553183

S=C1CCC(c2ccccc2)N1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABAT P80404 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL4552953 0.81 ABAT (0.44) SMN1; SMN2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10569330 0.80 LMNA (0.49) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL3739324 0.78 HDAC6 (0.54) HDAC1HDAC8HDAC6TNKS
SCHEMBL11765796 0.75 TSHR (0.48) ALDH1A1GAAMAPT
SCHEMBL10574313 0.71 HDAC6 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11183414 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL4553224 0.70 ATM (0.43) SMN1; SMN2ALDH1A1GAAABATLMNA
SCHEMBL19130068 0.68 PRCP (0.40) ALDH1A1GAALMNAMAPT
SCHEMBL10571487 0.68 LMNA (0.47) ALDH1A1GAAHDAC1HDAC8HDAC6
SCHEMBL5591295 0.68 LMNA (0.53) ALDH1A1HDAC1HDAC8HDAC6LMNA

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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 SMN1; SMN2 3046/4885ALDH1A1 1290/4885CHRNB2 4627/4885

“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.