SCHEMBL5936170

SCHEMBL5936170

O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CCC(CN1CCCC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 1.00
▸ CHRM4 P08173 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CHRM5 P08912 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ CHRM3 P20309 1/20 0.57
▸ ADRA1D P25100 1/20 0.57
▸ HTR1D P28221 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ HTR5A P47898 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL6234651 0.99 MCHR1 (1.00) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL5936179 0.86 MCHR1 (1.00) MCHR1
SCHEMBL6232714 0.84 MCHR1 (0.72) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL5936025 0.77 MCHR1 (0.98) MCHR1KCNH2
SCHEMBL5936060 0.76 MCHR1 (1.00) MCHR1
SCHEMBL5936071 0.76 MCHR1 (1.00) MCHR1
SCHEMBL5936037 0.76 MCHR1 (0.74) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL5936098 0.76 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5661655 0.75 MCHR1 (0.60) MCHR1
SCHEMBL5661660 0.75 MCHR1 (0.60) MCHR1

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-20060194871-A1 Heterocyclic mchr1 antagoists SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — 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-20060194871-A1 Heterocyclic mchr1 antagoists MCHR1, MCHR2, MC1R MCHR1 1/4885CHRM4 391/4885CYP3A4 923/4885

“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.

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