SCHEMBL5596332

SCHEMBL5596332

N=C(N)N1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.39
TMPRSS2 O15393 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
NOS1 P29475 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
F10 P00742 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
EGFR P00533 1/20 0.30
F2 P00734 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
SCHEMBL5596803 0.85 HTR2A (0.41) KDM4EKMT2AALDH1A1HTT
SCHEMBL5596693 0.81 DRD2 (0.40) ADRA2ASLC6A2NOS1
SCHEMBL5596830 0.81 DRD2 (0.36) CYP2D6NOS1
SCHEMBL5596980 0.81 USP30 (0.42)
SCHEMBL5596515 0.80 DRD2 (0.39)
SCHEMBL5597147 0.80 DRD2 (0.41)
SCHEMBL5596537 0.79 OPRM1 (0.33)
SCHEMBL5596912 0.79 GAA (0.34) GPBAR1KDM4EHTT
SCHEMBL5596530 0.79 OPRM1 (0.31)
SCHEMBL5597053 0.79 ESR1 (0.38) HTR1AADRA2AGPBAR1HSD17B10KMT2A

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 EED 4601/4885TMPRSS2 4878/4885HTR1A 538/4885

“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.