SCHEMBL12424099

SCHEMBL12424099

CCNC(=O)C1CCCN1C(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FKBP5 Q13451 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACE P12821 1/20 0.41
BCHE P06276 1/20 0.40
DPP4 P27487 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40

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
SCHEMBL13626004 1.00 NPSR1 (0.47) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL12424097 0.95 FKBP5 (0.47) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL13614085 0.87 DPP4 (0.47) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL4578857 0.86 NPSR1 (0.50) NPSR1POLBTSHRSMN1; SMN2CYP3A4
SCHEMBL4578862 0.86 NPSR1 (0.50) NPSR1POLBTSHRSMN1; SMN2CYP3A4
SCHEMBL21581710 0.86 NPSR1 (0.44) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL3279377 0.85 P2RX7 (0.51) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL617286 0.85 NPSR1 (0.48) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL2835654 0.85 NPSR1 (0.48) NPSR1POLBTSHRSMN1; SMN2FKBP5
SCHEMBL17462960 0.84 NPSR1 (0.43) NPSR1POLBTSHRSMN1; SMN2CYP3A4

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-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 NPSR1 142/4885POLB 4473/4885TSHR 131/4885

“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.