SCHEMBL4921974

SCHEMBL4921974

O=C(NCCc1ccccc1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.78
KCNH2 Q12809 14/20 0.78
CHRM2 P08172 1/20 0.64
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL4913541 0.88 MCHR1 (0.70) MCHR1KCNH2CHRM2CYP3A4
SCHEMBL4918264 0.88 MCHR1 (1.00) MCHR1KCNH2CHRM2CYP3A4KDM4E
SCHEMBL4923710 0.85 KCNH2 (0.65) MCHR1KCNH2CHRM2KDM4EALDH1A1
SCHEMBL5316462 0.83 MCHR1 (0.65) MCHR1KCNH2CYP3A4
SCHEMBL4913448 0.82 MCHR1 (0.67) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL27710070 0.81 MCHR1 (0.63) MCHR1KCNH2CYP3A4
SCHEMBL4913438 0.81 MCHR1 (0.64) MCHR1KCNH2CHRM2
SCHEMBL4917713 0.81 MCHR1 (0.58) MCHR1KCNH2CYP3A4
SCHEMBL5343940 0.81 MCHR1 (0.86) MCHR1KCNH2CHRM2CYP3A4KDM4E
SCHEMBL4925522 0.80 MCHR1 (0.67) MCHR1KCNH2CYP3A4

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 1440/4885CHRM2 63/4885

“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.