SCHEMBL4233337

SCHEMBL4233337

CCOc1ccc(C)c(Oc2nc(C(=O)Nc3c(OC)nc(NCCN(C(=O)OC(C)(C)C)C(C)C)nc3OC)cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.35
AHCY P23526 1/20 0.32
MAPT P10636 4/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
PKM P14618 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPK1 P28482 2/20 0.30
HSP90AA1 P07900 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4232839 0.95 ABCB1 (0.34) ABCB1AHCYLMNA
SCHEMBL4235987 0.94 ABCB1 (0.40) ABCB1AHCYMAPTOPRK1BRD4
SCHEMBL4237897 0.94 ABCB1 (0.35) ABCB1MAPK1
SCHEMBL4233287 0.93 ABCB1 (0.36) ABCB1AHCYMAPTOPRK1BRD4
SCHEMBL4237409 0.92 MAPT (0.32) MAPTRAB9ANPC1PKMOPRK1
SCHEMBL4564449 0.90 AAK1 (0.32) ABCB1OPRK1GNRHR
SCHEMBL4236245 0.86 ABCB1 (0.31) ABCB1OPRK1GNRHR
SCHEMBL4240638 0.86 ACACB (0.32) OPRK1LMNAMAPK1GNRHR
SCHEMBL4229017 0.86 ABCB1 (0.34) ABCB1MAPTRAB9ANPC1OPRK1
SCHEMBL4231680 0.85 ACACB (0.33) OPRK1MAPK1GNRHR

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
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ABCB1 4102/4885AHCY 2016/4885MAPT 4754/4885

“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.