SCHEMBL2819181

SCHEMBL2819181

CCc1nc(CC2CCCC2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE8B O95263 1/20 0.39
SLC6A3 Q01959 1/20 0.38
HTR6 P50406 7/20 0.37
DRD2 P14416 2/20 0.37
CYP11B2 P19099 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
AAK1 Q2M2I8 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HTR3A P46098 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2819308 0.83 SLC6A3 (0.40) CNR1CNR2SLC6A3HTR6DRD2
SCHEMBL17710056 0.79 NPC1 (0.33) CNR1CNR2NPC1RAB9A
SCHEMBL2820205 0.79 CNR1 (0.40) CNR1CNR2SLC6A3HTR6DRD2
SCHEMBL28005005 0.76 GABRA5 (0.41) CNR1CNR2NPC1GAARAB9A
SCHEMBL28160951 0.75 HTR6 (0.39) CNR1CNR2HTR6DRD2CYP11B2
SCHEMBL28161480 0.75 CNR1 (0.38) CNR1CNR2HTR6DRD2CYP11B2
SCHEMBL2256127 0.75
SCHEMBL2819208 0.75 DRD2 (0.45) CNR1CNR2SLC6A3HTR6DRD2
SCHEMBL15549396 0.74 LMNA (0.46) CNR1CNR2TSHRNPC1POLB
Hydrochloric Acid SCHEMBL10988638 0.73 SLC6A3 (0.46) PDE8BSLC6A3DRD2HTR2AHRH1

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 CNR1 1692/4885CNR2 1305/4885PDE8B 808/4885

“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.