SCHEMBL289024

SCHEMBL289024

CCOc1cc(CBr)cc(OCC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CALM1 P0DP23 2/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 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
SCHEMBL358283 0.81 LMNA (0.45) HPGDSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL30041126 0.79 CA2 (0.43) HTR2AHTR2CHTR2BMAPTL3MBTL1
SCHEMBL28620316 0.78 LMNA (0.41) HPGDSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL7651768 0.77 CALM1 (0.49) HPGDSMN1; SMN2LMNATSHRCALM1
SCHEMBL1391227 0.74 MAPT (0.49) HPGDSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL6741728 0.74 CALM1 (0.39) HPGDSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL2935967 0.73 NQO1 (0.46) TSHRCALM1TDP1KDM4EMEN1
SCHEMBL12761488 0.72 SMN1; SMN2 (0.40) HPGDSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL6939626 0.72 CYP4F2 (0.51) HPGDSMN1; SMN2LMNATSHRCALM1
SCHEMBL16055821 0.71 SSTR5 (0.47)

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
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 HPGD 3004/4885SMN1; SMN2 2875/4885LMNA 1081/4885

“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.