SCHEMBL250809

SCHEMBL250809

O=C(O)NCc1ccc(OC2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.53
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PARP10 Q53GL7 1/20 0.49
FAAH O00519 1/20 0.48
ACACB O00763 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
NAAA Q02083 1/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL13652545 0.84 ALDH1A1 (0.55) ALDH1A1TSHRALOX12PDE4APDE4B
SCHEMBL10233014 0.82 ALDH1A1 (0.52) ALDH1A1TSHRALOX12PDE4APDE4B
SCHEMBL19381465 0.82 HSD17B10 (0.73) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL12001266 0.81 ACACB (0.52) ALDH1A1TSHRALOX12PDE4APDE4B
SCHEMBL13412909 0.80 THRA (0.55) ALDH1A1TSHRALOX12SMN1; SMN2PARP10
SCHEMBL2347990 0.79 THRA (0.57) ALDH1A1TSHRSMN1; SMN2PARP10FAAH
SCHEMBL508796 0.78 ALDH1A1 (0.62) ALDH1A1TSHRALOX12PDE4APDE4B
SCHEMBL20766402 0.78 RAB9A (0.61) ALDH1A1TSHRHSD17B10NPC1RAB9A
SCHEMBL4992374 0.78 ALDH1A1 (0.55) ALDH1A1TSHRALOX12PDE4APDE4B
SCHEMBL4983179 0.78 ALDH1A1 (0.55) ALDH1A1TSHRALOX12PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760830-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
WO-2013048928-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 ALDH1A1 468/4885TSHR 1779/4885ALOX12 692/4885

“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.