SCHEMBL345705

SCHEMBL345705

CC(C)c1nc(CN(CC2CCN(c3nccc4ccccc34)CC2)C(=O)O)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
HTR2C P28335 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ACACB O00763 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
RPLP1 P05386 1/20 0.34
RPLP0 P05388 1/20 0.34
RPS17 P08708 1/20 0.34
RPSA P08865 1/20 0.34
RPS2 P15880 1/20 0.34
RPL35A P18077 1/20 0.34
RPL7 P18124 1/20 0.34
RPL17 P18621 1/20 0.34
RPS4Y1 P22090 1/20 0.34
RPS3 P23396 1/20 0.34
RPS12 P25398 1/20 0.34
RPL13 P26373 1/20 0.34

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
SCHEMBL345161 0.86 MEN1 (0.36)
SCHEMBL239313 0.77 HRH4 (0.46) SORDHRH4MALT1HTR2CHCAR2
Hydrochloric Acid SCHEMBL239760 0.76 HRH4 (0.45) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL1728700 0.70 HRH4 (0.54) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL1729384 0.70 DPP4 (0.44) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL1727927 0.70 HRH4 (0.44) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL1728699 0.68 HRH4 (0.51) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL237050 0.68 HTR2C (0.64) SORDHRH4HTR2C
SCHEMBL1729389 0.68 DPP4 (0.43) SORDHRH4MALT1HTR2CHCAR2
SCHEMBL1727929 0.68 HRH4 (0.42) SORDHRH4MALT1HTR2CHCAR2

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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A SORD 1904/4885HRH4 72/4885MALT1 3294/4885

“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.