SCHEMBL1908699

SCHEMBL1908699

CC(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
MELK Q14680 1/20 0.37
SMO Q99835 1/20 0.36
KMT2A Q03164 2/20 0.36
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4191188 0.92 MAOA (0.47) MAOAGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL9027748 0.85 EPHX1 (0.48) MAOAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL9027751 0.85 EPHX1 (0.48) MAOAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL9029685 0.85 EPHX1 (0.48) MAOAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL12819982 0.83 MAOA (0.42) MAOAGAASMN1; SMN2NPSR1MAPT
SCHEMBL21213732 0.83 SMYD3 (0.49) MAOAGAA
SCHEMBL21198215 0.83 SMYD3 (0.49) MAOAGAA
SCHEMBL16374937 0.83 SMYD3 (0.49) MAOAGAA
SCHEMBL18629569 0.82 NPSR1 (0.56) SMN1; SMN2KDM4EALDH1A1NPSR1MAPT
SCHEMBL19502831 0.80 TSHR (0.41) MAOAGAASMN1; SMN2KDM4ENPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (2 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 MAOA 128/4885ATM 2215/4885GAA 2483/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 MAOA 369/4885ATM 2302/4885GAA 3626/4885

“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.