SCHEMBL7107835

SCHEMBL7107835

CN1CCCC(S(=O)(=O)Nc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
BRPF1 P55201 2/20 0.36
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BRD4 O60885 3/20 0.35
SMYD3 Q9H7B4 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC4 P56524 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SGK1 O00141 1/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL7107837 1.00 HRH3 (0.48) HRH3BRPF1UCHL1USP30BRD4
SCHEMBL4290113 0.80 HRH3 (0.46) HRH3BRPF1BRD4SMYD3SGK1
SCHEMBL7028987 0.80 HRH3 (0.46) HRH3BRPF1BRD4SMYD3SGK1
SCHEMBL4290100 0.80 HRH3 (0.46) HRH3BRPF1BRD4SMYD3SGK1
SCHEMBL4290109 0.80 HRH3 (0.46) HRH3BRPF1BRD4SMYD3SGK1
SCHEMBL13663365 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4291010 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4291020 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4291017 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4294233 0.75 HRH3 (0.46) HRH3ALDH1A1LMNATP53MAPT

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-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 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-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885BRPF1 1414/4885UCHL1 2904/4885

“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.