SCHEMBL2819208

SCHEMBL2819208

CC(C)c1nc(CC2CCCC2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
SLC6A3 Q01959 1/20 0.40
SRC P12931 1/20 0.37
HTR6 P50406 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE9A O76083 1/20 0.32
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CA P42336 1/20 0.31
NMT1 P30419 1/20 0.31
ADORA2A P29274 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL28168262 0.81 SRC (0.37) DRD2HTR2AHRH1SLC6A3SRC
SCHEMBL28168098 0.80 SRC (0.38) DRD2HTR2AHRH1SRCHTR6
SCHEMBL2820205 0.77 CNR1 (0.40) DRD2SLC6A3HTR6CNR1CNR2
SCHEMBL2819181 0.75 CNR1 (0.39) DRD2HTR2AHRH1SLC6A3HTR6
SCHEMBL28161480 0.74 CNR1 (0.38) DRD2HTR6CNR1CNR2SMN1; SMN2
SCHEMBL28160951 0.74 HTR6 (0.39) DRD2HTR6CNR1CNR2SMN1; SMN2
SCHEMBL15549396 0.72 LMNA (0.46) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL17709923 0.72 HTR6 (0.34) DRD2HTR6CNR1CNR2NPC1
SCHEMBL18715874 0.71 DRD2 (0.43) DRD2HTR2AHRH1SLC6A3CYP3A4
SCHEMBL2439238 0.71 SLC6A3 (0.46) DRD2HTR2AHRH1SLC6A3NPC1

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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 DRD2 2072/4885HTR2A 2510/4885HRH1 10/4885

“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.