SCHEMBL242566

SCHEMBL242566

C[C@H](NC1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM1A O60341 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
STS P08842 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NAMPT P43490 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
SCHEMBL242567 1.00 ATM (0.48) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL2758265 0.92 ATM (0.48) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL14422911 0.92 ATM (0.48) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL2758266 0.84 KDM1A (0.46) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL242181 0.84 KDM1A (0.46) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL242182 0.84 KDM1A (0.46) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL241680 0.79 KDM1A (0.48) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL241681 0.79 KDM1A (0.48) ATMTSHRALOX15KDM1AKDM4E
SCHEMBL2758261 0.78 KDM1A (0.46) KDM1AKDM4EPKMGPR119NPC1
SCHEMBL6394296 0.77 KDM1A (0.46) ATMTSHRALOX15KDM1AKDM4E

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 5 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-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-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 ATM 2394/4885TSHR 131/4885ALOX15 1722/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 ATM 2394/4885TSHR 131/4885ALOX15 1722/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 ATM 2394/4885TSHR 131/4885ALOX15 1722/4885

“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.