SCHEMBL242181

SCHEMBL242181

CC(=O)NC1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
GPR119 Q8TDV5 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.43
IDO1 P14902 1/20 0.43
MCHR2 Q969V1 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
NAE1 Q13564 1/20 0.42
UBA3 Q8TBC4 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
STS P08842 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL242182 1.00 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL2758266 1.00 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL12385458 0.92 MCHR2 (0.50) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL13001285 0.92 KDM1A (0.44) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL13000261 0.88 KDM1A (0.47) KDM1AGPR119KDM4EPKMNAMPT
SCHEMBL242566 0.84 ATM (0.48) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL242567 0.84 ATM (0.48) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL2758261 0.84 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL241680 0.83 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL241681 0.83 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6GPR119

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 13 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-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 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 (3 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 KDM1A 2615/4885HDAC1 1652/4885HDAC8 1819/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885HDAC1 1652/4885HDAC8 1819/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885HDAC1 1652/4885HDAC8 1819/4885

“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.