SCHEMBL4240638

SCHEMBL4240638

CCCOc1ccc(C)c(Oc2nc(C(=O)Nc3c(OC)nc(NCCN(C(=O)O)C(C)C)nc3OC)cs2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.32
SLC8A1 P32418 1/20 0.32
LMNA P02545 1/20 0.31
MAP3K5 Q99683 1/20 0.31
MAPK1 P28482 1/20 0.31
GNRHR P30968 2/20 0.31
ACHE P22303 2/20 0.30
CACNA1F O60840 1/20 0.30
CHRM4 P08173 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30
TACR1 P25103 1/20 0.30
PTAFR P25105 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL4237409 0.94 MAPT (0.32) ACACBSLC8A1MAPK1GNRHRACHE
SCHEMBL4231680 0.92 ACACB (0.33) ACACBMAPK1GNRHRACHECACNA1F
SCHEMBL4235884 0.92 LMNA (0.32) SLC8A1LMNAMAPK1GNRHRACHE
SCHEMBL4233424 0.88 ACACB (0.34) ACACBSLC8A1LMNAMAP3K5MAPK1
SCHEMBL4233455 0.88 GNRHR (0.32) LMNAGNRHRACHECACNA1FCHRM4
SCHEMBL4233337 0.86 ABCB1 (0.35) LMNAMAPK1GNRHROPRK1
SCHEMBL4235987 0.84 ABCB1 (0.40) LMNAMAPK1GNRHRACHECACNA1F
SCHEMBL4237897 0.84 ABCB1 (0.35) ACACBMAPK1
SCHEMBL4233287 0.83 ABCB1 (0.36) LMNAGNRHRACHECACNA1FCHRM4
SCHEMBL4228263 0.83 GNRHR (0.32) GNRHRACHECACNA1FCHRM4ADORA3

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 ACACB 2896/4885SLC8A1 3748/4885LMNA 2647/4885

“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.