SCHEMBL4195909

SCHEMBL4195909

CCCC[C@@H](C)C[C@@H](O)CC(=O)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
CNR2 P34972 2/20 0.43
RAB9A P51151 2/20 0.42
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 3/20 0.39
MMP7 P09237 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
ACE P12821 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
REN P00797 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4204830 0.93 NPC1 (0.46) NPC1RAB9AHDAC3NCOR2POLB
SCHEMBL4205816 0.88 NPC1 (0.48) NPC1RAB9AHDAC3NCOR2CTSK
SCHEMBL130360 0.85 CNR2 (0.49) NPC1CNR2RAB9AMEN1KMT2A
SCHEMBL11911569 0.84 CNR2 (0.48) CNR2HDAC3NCOR2MEN1KMT2A
SCHEMBL11911566 0.84 CNR2 (0.48) CNR2HDAC3NCOR2MEN1KMT2A
SCHEMBL7416043 0.83 NPC1 (0.51) NPC1RAB9AHDAC3NCOR2CTSK
SCHEMBL11911575 0.83 NPC1 (0.49) NPC1CNR2RAB9AHDAC3NCOR2
SCHEMBL12825884 0.81 TSHR (0.42) NPC1CNR2RAB9AHDAC3NCOR2
SCHEMBL11911576 0.81 NPC1 (0.51) NPC1RAB9AHDAC3NCOR2
SCHEMBL6198786 0.80 CNR2 (0.47) NPC1CNR2RAB9AHDAC3NCOR2

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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US claimed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 NPC1 2598/4885CNR2 1362/4885RAB9A 1302/4885

“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.