SCHEMBL2722129

SCHEMBL2722129

O=c1[nH]c2ccccc2n1C1CCC(Cl)C[N]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.47
▸ OPRK1 P41145 3/20 0.47
▸ OPRL1 P41146 3/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ CHRM4 P08173 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ CHRM3 P20309 1/20 0.46
▸ OPRD1 P41143 1/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ SLC18A3 Q16572 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL2718550 0.78 CHRM2 (0.54) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL319049 0.73 CHRM1 (0.70) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3142425 0.70 CHRM1 (0.81) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL4084782 0.70 CHRM1 (0.76) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL220219 0.70 CHRM1 (0.62) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL7509593 0.70 CHRM1 (0.84) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3146496 0.69 CHRM2 (0.83) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL13081211 0.69 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL44492 0.68 CHRM1 (0.63) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL8863641 0.68 CHRM1 (0.63) OPRM1OPRK1OPRL1CHRM2CHRM4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 — — US claimed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 — — US claimed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 — — US claimed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 — — EP claimed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO claimed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 — — EP claimed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US claimed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 — — WO claimed
EP-2447266-B1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LTD (GB) 2013-06-12 — — EP disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 — — US disclosed
EP-1868611-B1 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES GLAXO GROUP LTD (GB) 2012-11-14 — — EP disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 — — US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 — — EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 — — EP disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 — — US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 — — 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 (6 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 OPRM1 167/4885OPRK1 172/4885OPRL1 273/4885
US-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 OPRM1 3932/4885OPRK1 2001/4885OPRL1 3312/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB OPRM1 3561/4885OPRK1 1664/4885OPRL1 2999/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB OPRM1 3561/4885OPRK1 1664/4885OPRL1 2999/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 OPRM1 3932/4885OPRK1 2001/4885OPRL1 3312/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB OPRM1 3561/4885OPRK1 1664/4885OPRL1 2999/4885

“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.

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