SCHEMBL3104468

SCHEMBL3104468

Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR119 Q8TDV5 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
EPHX2 P34913 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3104465 1.00 LMNA (0.43) LMNANPSR1MAPTALDH1A1GPR119
SCHEMBL3104469 1.00 LMNA (0.43) LMNANPSR1MAPTALDH1A1GPR119
SCHEMBL8401087 0.90 MAPK1 (0.46) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2253805 0.90 MAPK1 (0.46) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4219716 0.90 MAPK1 (0.46) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2252426 0.90 MAPK1 (0.46) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3101669 0.89 LMNA (0.41) LMNANPSR1MAPTALDH1A1GPR119
SCHEMBL3101666 0.89 LMNA (0.41) LMNANPSR1MAPTALDH1A1GPR119
SCHEMBL3101675 0.89 LMNA (0.41) LMNANPSR1MAPTALDH1A1GPR119
SCHEMBL3094959 0.85 ALDH1A1 (0.55) LMNANPSR1MAPTALDH1A1GPR119

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
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R LMNA 3483/4885NPSR1 26/4885MAPT 1723/4885

“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.