SCHEMBL4127903

SCHEMBL4127903

CC(C)N1CCN(C2CCc3cc(-c4cccc(S(C)(=O)=O)c4)ccc3C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.40
VCP P55072 1/20 0.39
ACVR1 Q04771 1/20 0.39
BACE1 P56817 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NR1H2 P55055 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
FAAH O00519 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4145001 0.90 CHRM2 (0.44) VCPCHRM2CHRM1PRMT5WDR77
SCHEMBL4130398 0.88 ACVR1 (0.39) GRIA2ACVR1BACE1PRMT5WDR77
SCHEMBL4152780 0.85 JAK2 (0.47) GRIA2ACVR1BACE1JAK2JAK3
SCHEMBL4136797 0.82 TP53 (0.40) CHRM2CHRM1FAAHALDH1A1
SCHEMBL4141043 0.80 KDM2B (0.38) GRIA2ACVR1PRMT5WDR77NR1H2
SCHEMBL4142089 0.79 HRH3 (0.42) VCPFAAH
SCHEMBL4136275 0.79 GRIN2B (0.49) GRIA2NR1H2DPP4DPP8DPP9
SCHEMBL4144821 0.78 USP30 (0.43) CHRM2CHRM1JAK2JAK3PTK2
SCHEMBL4142661 0.78 USP30 (0.43) CHRM2CHRM1JAK2JAK3PTK2
SCHEMBL4140906 0.78 USP30 (0.43) CHRM2CHRM1JAK2JAK3PTK2

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 GRIA2 235/4885VCP 2205/4885ACVR1 2680/4885

“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.