SCHEMBL4925201

SCHEMBL4925201

CC(C)(C)N(C(=O)O)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
KCNH2 Q12809 8/20 0.58
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM4 P08173 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL4919276 0.86 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4915340 0.82 MCHR1 (0.55) MCHR1KCNH2CHRM2CHRM1CHRM4
SCHEMBL27690410 0.81 MCHR1 (0.59) MCHR1KCNH2CHRM2CHRM1CHRM4
SCHEMBL1733915 0.81 KDM4E (0.61)
SCHEMBL4926337 0.80 MCHR1 (0.59) MCHR1KCNH2
Hydrochloric Acid SCHEMBL4923589 0.80 MCHR1 (0.58) MCHR1KCNH2CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL4922916 0.80 MCHR1 (0.58) MCHR1KCNH2CHRM2CHRM1CHRM4
SCHEMBL4926474 0.79 MCHR1 (0.61) MCHR1KCNH2
Acetic Acid SCHEMBL4927369 0.77 MCHR1 (0.63) MCHR1KCNH2CHRM4
SCHEMBL4925505 0.77 MCHR1 (0.62) 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 1 patent. 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 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.