SCHEMBL5597140

SCHEMBL5597140

CC(=O)NC1CC(N2CCCC(N3CCc4cncc5cccc3c45)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
OGFRL1 Q5TC84 3/20 0.33
VNN1 O95497 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
GAA P10253 1/20 0.32

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 0.93 OPRM1 (0.35) MEN1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL5596992 0.84 DRD2 (0.39) MEN1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL5596530 0.83 OPRM1 (0.31) OPRM1OPRD1OPRK1GAA
SCHEMBL5596912 0.81 GAA (0.34) POLBOPRM1OPRD1OPRK1GAA
SCHEMBL5596803 0.81 HTR2A (0.41) POLBKMT2AALDH1A1
SCHEMBL5596537 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1GAA
SCHEMBL5596832 0.79 HTR2C (0.40) ROCK1GAA
SCHEMBL5596726 0.79 GAA (0.36) MEN1KMT2AALDH1A1ROCK1CDC42BPB
SCHEMBL5597043 0.79 PIK3CD (0.38) ATMALDH1A1MTNR1A
SCHEMBL5597107 0.78 MTNR1A (0.34) SMN1; SMN2ALDH1A1MTNR1AMTNR1BGAA

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 MEN1 2341/4885POLB 2903/4885TSHR 699/4885

“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.