SCHEMBL3095056

SCHEMBL3095056

COc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.43
NPY1R P25929 1/20 0.43
MC4R P32245 1/20 0.43
NPY2R P49146 1/20 0.43
MGLL Q99685 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3086881 0.90 GAA (0.48) KMT2AL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3086716 0.88 HTR1A (0.50) KMT2AL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL3073923 0.86 MEN1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3086931 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAMAPK1HPGD
SCHEMBL3081032 0.83 CYP3A4 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3086922 0.81 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3079273 0.81 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5166683 0.80 ALDH1A1 (0.48) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3075559 0.80 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPK1HPGD
SCHEMBL3081026 0.80 LMNA (0.53) L3MBTL1ALDH1A1LMNAHPGD

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-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US claimed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US claimed
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 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-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 KMT2A 2029/4885MEN1 3637/4885L3MBTL1 3501/4885

“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.