SCHEMBL4623772

SCHEMBL4623772

NCC1CCN(Cc2ccco2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
TRPV6 Q9H1D0 1/20 0.50
SIGMAR1 Q99720 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CXCR3 P49682 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
LMNA P02545 1/20 0.44
PARP1 P09874 3/20 0.44
KMT2A Q03164 1/20 0.43

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
Hydrochloric Acid SCHEMBL4887046 0.98 CXCR4 (0.51) CXCR4TRPV6SIGMAR1CYP2D6CYP2C9
SCHEMBL13375739 0.84 TRPV6 (0.50) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL23198133 0.80 TRPV6 (0.52) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL14375212 0.80 ACHE (0.54) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL3055170 0.77 SIGMAR1 (0.52) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL8045561 0.77 SIGMAR1 (0.55) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL31670698 0.77 SIGMAR1 (0.55) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL13374355 0.76 TRPV6 (0.49) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL4623779 0.76 CXCR3 (0.59) TRPV6SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL17375933 0.76 MEN1 (0.51) TRPV6CYP2D6CYP2C9CYP2C19LMNA

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-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-3160477-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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 (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-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CXCR4 3708/4885TRPV6 4671/4885SIGMAR1 4405/4885

“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.