SCHEMBL1253508

SCHEMBL1253508

O=CC1(c2ccccn2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
HSD11B1 P28845 1/20 0.43
GRM1 Q13255 2/20 0.35
OPRM1 P35372 7/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL1255067 1.00 GRIN1 (0.50) GRIN1GRIN2AGRIN2BHSD11B1GRM1
SCHEMBL1255604 1.00 GRIN1 (0.50) GRIN1GRIN2AGRIN2BHSD11B1GRM1
SCHEMBL1256110 1.00 GRIN1 (0.50) GRIN1GRIN2AGRIN2BHSD11B1GRM1
SCHEMBL1255555 0.98 GRIN1 (0.47) GRIN1GRIN2AGRIN2BHSD11B1GRM1
SCHEMBL24608783 0.95 GRIN1 (0.44) GRIN1GRIN2AGRIN2BHSD11B1OPRM1
SCHEMBL4121266 0.91 GRIN1 (0.42) GRIN1GRIN2AGRIN2BHSD11B1OPRM1
SCHEMBL31114034 0.83 VNN1 (0.38) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL28800681 0.79 GRIN1 (0.36) GRIN1GRIN2AGRIN2BHSD11B1OPRM1
SCHEMBL28272447 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL30825707 0.75 GRIN1 (0.58) GRIN1GRIN2AGRIN2BHSD11B1OPRM1

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-20070149717-A1 Functionalized polymers BRIDGESTONE CORPORATION (JP) 2007-06-28 US claimed
US-7879952-B2 Functionalized polymers BRIDGESTONE CORPORATION (JP) 2011-02-01 US disclosed
EP-1803740-B1 Method for preparing functionalized polymers BRIDGESTONE CORP (JP) 2009-03-18 EP disclosed
EP-1803740-A1 Functionalized polymers Bridgestone Corporation (JP) 2007-07-04 EP disclosed
US-20070149717-A1 Functionalized polymers BRIDGESTONE CORPORATION (JP) 2007-06-28 US disclosed
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR GRIN1 780/4885GRIN2A 1010/4885GRIN2B 1046/4885

“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.