SCHEMBL11885437

SCHEMBL11885437

COc1ccccc1C(C(C)C)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KCNA5 P22460 7/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
KCNH2 Q12809 4/20 0.46
KCNE1 P15382 2/20 0.46
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRM1 P35372 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
SCHEMBL11885445 0.98 KDM4E (0.47) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL4590358 0.87 MAPT (0.50) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885444 0.84 P4HB (0.50) MAPTKDM4EALOX15SMN1; SMN2HSD17B10
SCHEMBL13553399 0.83 KDM4E (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL27337559 0.83 HPGD (0.43) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885449 0.81 CHRM2 (0.44) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11886645 0.81 KDM4E (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL13653654 0.79 MAPT (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885450 0.78 SIGMAR1 (0.46) KMT2AMEN1ALDH1A1CYP3A4KCNH2
SCHEMBL11885439 0.78 MEN1 (0.49) KMT2AMEN1ALDH1A1KCNH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 MAPT 4661/4885KDM4E 4242/4885HPGD 897/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 MAPT 4661/4885KDM4E 4242/4885HPGD 897/4885

“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.