SCHEMBL240412

SCHEMBL240412

CC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.57
SIGMAR1 Q99720 12/20 0.50
HSD11B1 P28845 1/20 0.50
EBP Q15125 1/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MTOR P42345 1/20 0.48
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL2109651 0.92 RBP4 (0.51) KDM1ASIGMAR1HSD11B1TP53CYP1A2
SCHEMBL21940364 0.86 HDAC1 (0.49) KDM1ATSHRMAPK1HDAC1HDAC8
SCHEMBL16767809 0.83 NPC1 (0.44) KDM1ATSHRMEN1KMT2AHDAC1
SCHEMBL30468410 0.82 ESR2 (0.51) KDM1AHSD11B1MAPK1HDAC1HDAC8
SCHEMBL3782378 0.81 HDAC1 (0.50) KDM1ATSHRMAPK1HDAC1HDAC8
SCHEMBL652214 0.81 MAPK1 (0.46) KDM1ATSHRMAPK1HDAC1HDAC8
SCHEMBL652213 0.81 MAPK1 (0.46) KDM1ATSHRMAPK1HDAC1HDAC8
SCHEMBL3782382 0.81 HDAC1 (0.50) KDM1ATSHRMAPK1HDAC1HDAC8
SCHEMBL242013 0.80 PDK2 (0.47) KDM1ATSHRHDAC1HDAC8HDAC6
SCHEMBL3716496 0.80 SIGMAR1 (0.59) SIGMAR1HSD11B1EBPTP53CYP1A2

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 23 patents — showing the first 20. 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-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
US-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 US disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 US disclosed
US-20090099222-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 US disclosed
WO-2009045519-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
WO-2007100664-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO 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 (4 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-20090099222-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885SIGMAR1 237/4885HSD11B1 1412/4885
US-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885SIGMAR1 237/4885HSD11B1 1412/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885SIGMAR1 237/4885HSD11B1 1412/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 KDM1A 2615/4885SIGMAR1 237/4885HSD11B1 1412/4885

“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.