SCHEMBL5596841

SCHEMBL5596841

CNCCCCNC1CCC(N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.31
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
SLC6A2 P23975 2/20 0.31
KCNH2 Q12809 2/20 0.31
OPRK1 P41145 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRL1 P41146 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL5416000 0.98 NOS1 (0.31) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5417025 0.95 CARM1 (0.33) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5412835 0.91 KDM4E (0.31)
SCHEMBL5596720 0.91 SMYD3 (0.31) NOS1
SCHEMBL5596613 0.91 KDM4E (0.30)
SCHEMBL5415784 0.90 SMYD3 (0.30)
SCHEMBL5421394 0.90 SMYD3 (0.33) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL5596816 0.88 OPRM1 (0.30) OPRK1OPRM1OPRD1OPRL1
SCHEMBL5416454 0.88 SCD (0.31) OPRK1OPRM1OPRD1OPRL1
SCHEMBL5597028 0.88 HTR2C (0.38) OPRM1OPRD1HTR2CDRD3SLC6A3

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 NOS1 395/4885NOS2 1098/4885NOS3 609/4885

“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.