SCHEMBL4872004

SCHEMBL4872004

CCC1CC(Br)CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ACE P12821 5/20 0.33
REN P00797 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2 P00734 1/20 0.33
LTA4H P09960 1/20 0.33
PEPD P12955 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 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
SCHEMBL27993012 0.90 NPC1 (0.31) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3607904 0.82 L3MBTL1 (0.48) POLBL3MBTL1RAB9ANPC1KMT2A
SCHEMBL3348343 0.82 L3MBTL1 (0.48) POLBL3MBTL1RAB9ANPC1KMT2A
SCHEMBL2073337 0.82 L3MBTL1 (0.48) POLBL3MBTL1RAB9ANPC1KMT2A
SCHEMBL4863166 0.81 POLB (0.38) POLBL3MBTL1RAB9ANPC1KMT2A
SCHEMBL1198628 0.77 NPC1 (0.52) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL22287170 0.74
SCHEMBL16965716 0.74 POLB (0.52) POLBL3MBTL1MAPTACEREN
SCHEMBL11155986 0.72 NEK2 (0.36) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL605432 0.72 TACR1 (0.37) RAB9ANPC1KMT2AMEN1MAPT

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 POLB 3514/4885L3MBTL1 2144/4885RAB9A 1930/4885

“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.