SCHEMBL4925943

SCHEMBL4925943

O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.67
KCNH2 Q12809 10/20 0.67
ALDH1A1 P00352 5/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4924376 0.89 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL4924154 0.81 MCHR1 (0.86) MCHR1KCNH2
SCHEMBL4915122 0.80 MCHR1 (0.63) MCHR1KCNH2
SCHEMBL4925438 0.80 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL4923667 0.79 MCHR1 (0.60) MCHR1KCNH2ALDH1A1
SCHEMBL4925621 0.78 MCHR1 (0.80) MCHR1KCNH2
SCHEMBL4927397 0.78 MCHR1 (0.60) MCHR1KCNH2
SCHEMBL4921974 0.77 MCHR1 (0.78) MCHR1KCNH2ALDH1A1KDM4E
SCHEMBL5316462 0.77 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL4923710 0.75 KCNH2 (0.65) MCHR1KCNH2ALDH1A1TSHRMEN1

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 4 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
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 MCHR1 1/4885KCNH2 1440/4885ALDH1A1 2408/4885

“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.