SCHEMBL5596992

SCHEMBL5596992

CC(=O)NC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
GPBAR1 Q8TDU6 5/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
NPC1 O15118 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
SCHEMBL5596319 0.90 OPRM1 (0.35) DRD2MTNR1AMTNR1BSMN1; SMN2MEN1
SCHEMBL5419735 0.85 NOS1 (0.40) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597140 0.84 MEN1 (0.41) MTNR1AMTNR1BSMN1; SMN2MEN1POLB
SCHEMBL5415675 0.83 ITGB3 (0.39) GPBAR1
SCHEMBL5597162 0.83 SMO (0.39) DRD2GPBAR1SMN1; SMN2JAK2JAK1
SCHEMBL5428164 0.83 MTNR1A (0.39) DRD2MTNR1AMTNR1BOPRD1
SCHEMBL5930823 0.83 GPBAR1 (0.34) GPBAR1
SCHEMBL5596842 0.82 GPBAR1 (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5412545 0.82 ITGB3 (0.41) GPBAR1MEN1POLBKMT2A
SCHEMBL5408645 0.81 ROCK2 (0.40)

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 DRD2 1473/4885GPBAR1 2036/4885CKS1B 21/4885

“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.