SCHEMBL1786839

SCHEMBL1786839

CC(=O)N1CCC[C@@H](CC(O)Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.34
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 3/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
CREBBP Q92793 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1790081 1.00 CYP11B2 (0.34) CYP11B2PRMT5WDR77FNTAFNTB
SCHEMBL1791090 0.91 WDR5 (0.34) KDM4EALDH1A1EPHX2KDM2BWDR5
SCHEMBL1788532 0.89 F10 (0.38) PRMT5WDR77DPP4DPP7HRH3
SCHEMBL1978541 0.88 KDM2B (0.34) PRMT5WDR77DPP4FAPDPP8
SCHEMBL1786837 0.84 KDM2B (0.41) PRMT5WDR77HRH3KDM2B
SCHEMBL1790080 0.84 KDM2B (0.41) PRMT5WDR77HRH3KDM2B
SCHEMBL1791323 0.81 EPHX2 (0.35) EPHX2
SCHEMBL1789058 0.79 DPP4 (0.39) PRMT5WDR77ALDH1A1DPP4DPP7
SCHEMBL1789736 0.77 KDM4E (0.46) PRMT5KDM4EALDH1A1NPC1
SCHEMBL1791089 0.75 KDM2B (0.39) PRMT5WDR77HRH3KDM2B

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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 CYP11B2 1282/4885PRMT5 1438/4885WDR77 1639/4885

“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.