SCHEMBL1787712

SCHEMBL1787712

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
F10 P00742 4/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PLG P00747 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
MCHR1 Q99705 5/20 0.35
NOTUM Q6P988 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
QDPR P09417 1/20 0.33

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
SCHEMBL1788768 0.86 F10 (0.39) RORCF10PRSS1PRSS2PRSS3
SCHEMBL1791326 0.85 F10 (0.38) RORCF10PRSS1PRSS2PRSS3
SCHEMBL1789058 0.82 DPP4 (0.39) RORCF10PRSS1PRSS2PRSS3
SCHEMBL1790382 0.81 RORC (0.45) RORCF10PRSS1PRSS2PRSS3
SCHEMBL1787709 0.80 HRH3 (0.45) RORCHRH3
SCHEMBL1788532 0.76 F10 (0.38) RORCF10DPP4DPP7MCHR1
SCHEMBL1787151 0.76 UGT2B7 (0.33)
SCHEMBL1790934 0.75 HSP90AA1 (0.45) F10MCHR1
SCHEMBL1788185 0.74 ACACB (0.50)
SCHEMBL1788544 0.73 SMYD3 (0.42) F10PRSS1PRSS2PRSS3PLG

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 RORC 928/4885F10 2095/4885PRSS1 1914/4885

“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.