SCHEMBL4913451

SCHEMBL4913451

COc1ccc(-c2cc(CNC(=O)C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)on2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.57
KCNH2 Q12809 11/20 0.57
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4927298 0.91 MCHR1 (0.59) MCHR1KCNH2ALDH1A1MAPTHTT
SCHEMBL4913438 0.80 MCHR1 (0.64) MCHR1KCNH2
SCHEMBL4922344 0.76 MCHR1 (0.44) MCHR1KCNH2ALDH1A1MAPTHTT
SCHEMBL4925621 0.76 MCHR1 (0.80) MCHR1KCNH2
SCHEMBL4927397 0.76 MCHR1 (0.60) MCHR1KCNH2
SCHEMBL4922349 0.75 MCHR1 (0.39) MCHR1KCNH2ALDH1A1MAPTHTT
SCHEMBL19263020 0.75 SMN1; SMN2 (0.69) ALDH1A1MAPTHTTCYP1A2SMN1; SMN2
SCHEMBL19263258 0.75 HDAC1 (0.53) ALDH1A1HTTCYP1A2SMN1; SMN2
SCHEMBL4923710 0.74 KCNH2 (0.65) MCHR1KCNH2ALDH1A1MAPT
SCHEMBL4915122 0.74 MCHR1 (0.63) MCHR1KCNH2

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 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.