SCHEMBL24306014

SCHEMBL24306014

CCCCCCCOc1cccc(OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.48
MCHR1 Q99705 2/20 0.45
MAPK8 P45983 1/20 0.45
TSHR P16473 2/20 0.45
LTA4H P09960 1/20 0.44
KCNH2 Q12809 1/20 0.44
BTK Q06187 1/20 0.42
TLR8 Q9NR97 1/20 0.42
NR5A1 Q13285 1/20 0.42
ABCB1 P08183 1/20 0.41
TP53 P04637 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL8583652 0.94 SOAT1 (0.51) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL24306122 0.87 SOAT1 (0.47) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL2520179 0.86 LTA4H (0.50) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL2525163 0.84 MAPK8 (0.56) MAPK8LTA4HBTKTP53
SCHEMBL9440291 0.84 MCHR1 (0.44) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL24305930 0.84 MCHR1 (0.44) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL6001936 0.84 HTR7 (0.45) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL8504109 0.82 MCHR1 (0.43) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL7083 0.82 HTR7 (0.61) SOAT1MCHR1TSHRLTA4HKCNH2
SCHEMBL8903035 0.82 HTR7 (0.61) SOAT1MCHR1TSHRLTA4HKCNH2

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-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 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-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 SOAT1 2872/4885MCHR1 583/4885MAPK8 703/4885

“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.