SCHEMBL2943558

SCHEMBL2943558

COc1cc(C(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3CC(=O)O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1801220 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL2941530 0.82 HPGD (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2934834 0.82 NPC1 (0.48) ALDH1A1GAALMNANPSR1
SCHEMBL5666367 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL2942653 0.81 HPGD (0.42) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL2940005 0.81 MGLL (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2943001 0.80 MEN1 (0.39) MEN1KMT2AGAA
SCHEMBL2943099 0.80 CRBN (0.47) SMN1; SMN2KMT2ANPSR1POLB
SCHEMBL2940506 0.79 CYP3A4 (0.40) ALDH1A1CYP1A2SMN1; SMN2KMT2AGAA
SCHEMBL2942520 0.79 CYP3A4 (0.58) ALDH1A1SMN1; SMN2GAALMNAPOLB

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
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 ALDH1A1 2780/4885CYP1A2 817/4885SMN1; SMN2 2139/4885

“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.