SCHEMBL5115357

SCHEMBL5115357

COc1ccc(CNC(=O)C2=NOC3(CCNCC3)C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
NOD2 Q9HC29 1/20 0.44
ATM Q13315 1/20 0.43
APEX1 P27695 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL5112923 0.99 ALDH1A1 (0.50) ALDH1A1KMT2ARECQLHSD17B10L3MBTL1
SCHEMBL5126227 0.92 TRPV1 (0.43) ALDH1A1
SCHEMBL1457277 0.84 ALDH1A1 (0.49) ALDH1A1KMT2ARECQLHSD17B10MEN1
SCHEMBL5127818 0.82 GPR119 (0.52) ALDH1A1KMT2ARECQLHSD17B10L3MBTL1
SCHEMBL5115334 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2404585 0.80 ATM (0.45) ALDH1A1KMT2ASMN1; SMN2ATMLMNA
SCHEMBL12825008 0.80 EPHX2 (0.47) KMT2AL3MBTL1MEN1LMNA
SCHEMBL1457708 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ARECQLHSD17B10L3MBTL1
SCHEMBL1457493 0.80 LMNA (0.52) ALDH1A1KMT2AMEN1LMNA
SCHEMBL5125610 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10L3MBTL1SMN1; SMN2

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
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 ALDH1A1 281/4885KMT2A 4068/4885RECQL 1247/4885

“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.