SCHEMBL5596400

SCHEMBL5596400

NC1CCC(NC2CCC(N3CCc4cnc(O)c5cccc3c45)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
NOS1 P29475 4/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
SLC6A2 P23975 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL5410528 0.94 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5420136 0.86 NOS1 (0.41) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5421559 0.84 NOS1 (0.31) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5596783 0.83 SCN9A (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597231 0.82 DRD2 (0.38) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5416454 0.82 SCD (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596816 0.82 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597061 0.82 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5421394 0.82 SMYD3 (0.33) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5417025 0.82 CARM1 (0.33) NOS1NOS2NOS3SLC6A2KCNH2

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 KDM1A 1419/4885MAOB 2213/4885MAOA 2356/4885

“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.