SCHEMBL1788544

SCHEMBL1788544

CC(=O)N1CCC(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.42
NAMPT P43490 3/20 0.42
CRBN Q96SW2 1/20 0.42
PRMT5 O14744 2/20 0.42
MCHR1 Q99705 1/20 0.41
F10 P00742 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1789797 0.89 MEN1 (0.46) NAMPTKDM4EHDAC6
SCHEMBL1789736 0.89 KDM4E (0.46) SMYD3NAMPTPRMT5KDM4ETPSAB1
SCHEMBL1789721 0.88 MEN1 (0.47) NAMPTKDM4EHDAC6
SCHEMBL1790107 0.86 NAMPT (0.48) NAMPTKDM4E
SCHEMBL1787713 0.86 SMYD3 (0.53) SMYD3NAMPTF2PRSS1PRSS2
SCHEMBL1788777 0.85 HRH3 (0.46) F10F2PLGPRSS1PRSS2
SCHEMBL1787915 0.83 NAMPT (0.44) SMYD3NAMPTCRBNPRMT5MCHR1
SCHEMBL1787579 0.82 NAMPT (0.49) NAMPT
SCHEMBL1788539 0.82 HRH3 (0.51) NAMPTPRMT5F10F2PLG
SCHEMBL1787706 0.81 HDAC6 (0.43) SMYD3NAMPTPRMT5KCNH2HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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 SMYD3 386/4885NAMPT 4540/4885CRBN 694/4885

“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.