SCHEMBL5332952

SCHEMBL5332952

c1ccc(-c2ncc3c(n2)NCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
HTR2C P28335 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
HPGDS O60760 4/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL12654167 0.81 IDO1 (0.41) GRM5NPC1RAB9AKDM4EALOX5AP
SCHEMBL30462006 0.77 USP1 (0.46) GRM5ALOX5APFEN1
SCHEMBL26627854 0.77 USP1 (0.46) GRM5ALOX5APFEN1
SCHEMBL30707897 0.74 USP1 (0.37) GRM5ALOX5APFEN1
SCHEMBL30278074 0.72 PIK3CD (0.41)
SCHEMBL16692863 0.72 GRM5 (0.40) GRM5RAB9AMAPTKDM4EPOLB
SCHEMBL30698015 0.72 GRM5 (0.40) GRM5MAPTALOX5APFEN1
SCHEMBL30698038 0.72 GRM5 (0.40) GRM5MAPTALOX5APFEN1
SCHEMBL12654074 0.72 GRM5 (0.40) GRM5MAPTKDM4EALOX5APFEN1
SCHEMBL16692822 0.72 GRM5 (0.40) GRM5MAPTALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833831-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-19 EP disclosed
US-20060161001-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-07-20 US disclosed
WO-2006069258-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-06-29 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-20060161001-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GRM5 2068/4885HTR2C 860/4885NPC1 2602/4885

“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.