SCHEMBL5596800

SCHEMBL5596800

NC1CCC(NC2CCC(N3CCc4cncc5cccc3c45)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM1A O60341 8/20 0.33
GPBAR1 Q8TDU6 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM1B Q8NB78 2/20 0.32
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
MAOB P27338 3/20 0.31
NOS3 P29474 2/20 0.31
SLC6A2 P23975 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAOA P21397 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
SCHEMBL5421579 0.93 GPBAR1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5419735 0.85 NOS1 (0.40) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5415719 0.83 ROCK2 (0.36) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5596537 0.82 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596659 0.81 ROCK2 (0.36) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5596842 0.81 GPBAR1 (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5417474 0.81 ROCK2 (0.35) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5596599 0.81 GPBAR1 (0.36) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5410280 0.81 ROCK2 (0.36) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5596785 0.81 ROCK2 (0.38) ROCK2ROCK1GPBAR1OPRM1OPRD1

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 ROCK2 255/4885ROCK1 29/4885KDM1A 1419/4885

“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.