SCHEMBL4923710

SCHEMBL4923710

COc1ccc(CCNC(=O)C2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
MCHR1 Q99705 6/20 0.65
PTBP1 P26599 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL4923671 0.90 MCHR1 (0.61) KCNH2MCHR1
SCHEMBL4921974 0.85 MCHR1 (0.78) KCNH2MCHR1ALDH1A1KDM4ECHRM2
SCHEMBL4913438 0.82 MCHR1 (0.64) KCNH2MCHR1CHRM2
SCHEMBL4925621 0.81 MCHR1 (0.80) KCNH2MCHR1
SCHEMBL4924629 0.80 MCHR1 (0.67) KCNH2MCHR1KMT2AMEN1ALDH1A1
SCHEMBL4918264 0.79 MCHR1 (1.00) KCNH2MCHR1KDM4ECHRM2
SCHEMBL4913541 0.77 MCHR1 (0.70) KCNH2MCHR1CHRM2
SCHEMBL5316462 0.76 MCHR1 (0.65) KCNH2MCHR1
SCHEMBL4925943 0.75 MCHR1 (0.67) KCNH2MCHR1KMT2AMEN1ALDH1A1
SCHEMBL4924154 0.74 MCHR1 (0.86) KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO claimed
US-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy MCHR1, MCHR2, MC1R KCNH2 1440/4885MCHR1 1/4885PTBP1 3769/4885

“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.