SCHEMBL4136231

SCHEMBL4136231

CN(C)C(=O)c1cccc(-c2ccc3c(c2)CCC(N2CCCC(O)C2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
BCHE P06276 5/20 0.43
KDM2B Q8NHM5 2/20 0.42
ERN1 O75460 1/20 0.40
OTUD7B Q6GQQ9 3/20 0.40
PDK2 Q15119 1/20 0.38
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
MCHR1 Q99705 1/20 0.38
USP30 Q70CQ3 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL4136371 0.90 HRH3 (0.52) HRH3BCHEKDM2BERN1OTUD7B
SCHEMBL4136377 0.90 HRH3 (0.52) HRH3BCHEKDM2BERN1OTUD7B
SCHEMBL4148572 0.83 AKR1C3 (0.43) HRH3BCHEERN1OTUD7BPDK2
SCHEMBL4142089 0.82 HRH3 (0.42) HRH3ERN1OTUD7BPDK2KEAP1
SCHEMBL4141043 0.80 KDM2B (0.38) KDM2BUSP30
SCHEMBL4141092 0.80 BCHE (0.44) HRH3BCHEMCHR1
SCHEMBL4143084 0.80 KCNH2 (0.47) HRH3KDM2BOTUD7BMCHR1
SCHEMBL4135208 0.80 KEAP1 (0.39) HRH3BCHEERN1OTUD7BPDK2
SCHEMBL4136604 0.80 KDM2B (0.42) HRH3KDM2BUSP30
SCHEMBL4141778 0.79 HRH3 (0.41) HRH3BCHEMCHR1

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 HRH3 1/4885BCHE 573/4885KDM2B 3965/4885

“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.