SCHEMBL5597162

SCHEMBL5597162

CS(=O)(=O)NC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.39
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
MAPK8 P45983 7/20 0.35
MAPK9 P45984 4/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
MAPK10 P53779 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
BTK Q06187 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
SCHEMBL5419735 0.85 NOS1 (0.40) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596992 0.83 DRD2 (0.39) JAK1JAK2MEN1TSHRKMT2A
SCHEMBL5596785 0.81 ROCK2 (0.38) DRD2GPBAR1OPRM1OPRD1OPRK1
SCHEMBL5596800 0.81 ROCK2 (0.34) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596973 0.81 JAK1 (0.37) SMOJAK1JAK2MAPK8MAPK9
SCHEMBL5596659 0.80 ROCK2 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597062 0.79 SCN9A (0.38) HTR2AGPBAR1OPRM1OPRD1OPRK1
SCHEMBL5596842 0.79 GPBAR1 (0.38) MAPK8MAPK9GPBAR1OPRM1OPRD1
SCHEMBL5421579 0.79 GPBAR1 (0.36) MEN1TSHRKMT2AGPBAR1OPRM1
SCHEMBL5415675 0.79 ITGB3 (0.39) ALDH1A1GPBAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A SMO 3798/4885JAK1 565/4885JAK2 1211/4885

“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.