SCHEMBL21731356

SCHEMBL21731356

CCCCCCC(C)(CCCCC)c1cccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.41
KCNH2 Q12809 1/20 0.40
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
TLR8 Q9NR97 6/20 0.35
TSHR P16473 1/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL21731344 1.00 MCHR1 (0.41) MCHR1KCNH2CNR1CNR2NOS3
SCHEMBL22375312 0.82 KCNH2 (0.41) KCNH2CNR1CNR2NOS3NOS2
SCHEMBL26326025 0.82 KCNH2 (0.41) KCNH2CNR1CNR2NOS3NOS2
SCHEMBL22624105 0.79 KCNH2 (0.39) KCNH2CNR1CNR2TLR8IDH1
SCHEMBL21064262 0.79 KCNH2 (0.39) KCNH2CNR1CNR2TLR8
Undecane SCHEMBL28275328 0.78 KCNH2 (0.54) MCHR1KCNH2NOS3NOS2TLR8
SCHEMBL23745402 0.78 KCNH2 (0.38) KCNH2CNR1CNR2
SCHEMBL19964027 0.77 CDK2 (0.32) MCHR1CNR1CNR2TLR8
SCHEMBL19963987 0.77 CDK2 (0.32) MCHR1CNR1CNR2TLR8
SCHEMBL22375286 0.76 KCNH2 (0.39) KCNH2CNR1CNR2NOS3NOS2

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-20200055844-A1 4-SULFONYLAMINOCARBONYLQUINOLINE DERIVATIVES FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-02-20 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-20200055844-A1 4-SULFONYLAMINOCARBONYLQUINOLINE DERIVATIVES FOR INCREASING CFTR ACTIVITY CFTR, CLIC4, SCNN1B MCHR1 4633/4885KCNH2 1203/4885CNR1 4079/4885

“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.