SCHEMBL16775545

SCHEMBL16775545

COC(=O)c1ccc2c(c1)CN(c1cnc(N3CC(OC)C3)nc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OGFRL1 Q5TC84 1/20 0.42
▸ AOC3 Q16853 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ ADRA1A P35348 2/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL15000524 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1HDAC6
SCHEMBL18757001 0.82 MAOB (0.49) AOC3ADRA1AALDH1A1MAPTHPGD
SCHEMBL15000883 0.81 SYK (0.39) AOC3HDAC6ADRA1A
SCHEMBL19801995 0.80 DDR1 (0.51) OPRM1OPRD1OPRK1OGFRL1HDAC6
SCHEMBL16784992 0.77 AOC3 (0.46) AOC3HDAC6
SCHEMBL2188537 0.76 ACACB (0.45) AOC3HDAC6HDAC11NR1H2NR1H3
SCHEMBL19284497 0.76 ALDH1A1 (0.49) OPRM1OPRD1OPRK1OGFRL1HDAC6
SCHEMBL21326132 0.74 EED (0.40) —
SCHEMBL29586508 0.74 EED (0.40) —
SCHEMBL17869278 0.72 NPC1 (0.58) OPRM1OPRD1OPRK1OGFRL1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB OPRM1 842/4885OPRD1 1035/4885OPRK1 747/4885

“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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