SCHEMBL1790382

SCHEMBL1790382

CC(=O)N1CCC(C(O)c2ccc3c(c2)CCNCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
HRH3 Q9Y5N1 1/20 0.39
MCHR1 Q99705 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
PLG P00747 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
QDPR P09417 2/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL1787709 0.82 HRH3 (0.45) RORCHRH3
SCHEMBL1787712 0.81 RORC (0.44) RORCHRH3MCHR1DPP4DPP7
SCHEMBL9250133 0.73 GFER (0.47) RORCALDH1A1GAAMAPTTSHR
SCHEMBL8129954 0.72 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL7226175 0.71 ACHE (0.67) MCHR1
SCHEMBL1788798 0.71 F10 (0.40) RORCHRH3MCHR1F10PRSS1
SCHEMBL8613640 0.69 NOTUM (0.52) ALDH1A1MAPT
SCHEMBL12608371 0.69 ADCY6 (0.50) HRH3HTR2CHTR2B
SCHEMBL7226995 0.69 ACHE (0.59) MCHR1
SCHEMBL1788766 0.68 HRH3 (0.43) HRH3F10

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 RORC 928/4885HRH3 2/4885MCHR1 191/4885

“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.