SCHEMBL3101208

SCHEMBL3101208

CCOC(=O)N1CC[C@@H](N)[C@@H](N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.57
▸ NOS3 P29474 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ CHRM1 P11229 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 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
SCHEMBL3101217 1.00 GAA (0.57) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL3101223 1.00 GAA (0.57) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721576 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721655 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721563 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721743 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL15122213 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721662 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL4366159 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL254537 0.86 GAA (0.54) GAANOS3NOS2CHRM1L3MBTL1

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 GAA 1229/4885NOS3 2499/4885NOS2 2590/4885

“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.

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