SCHEMBL5596803

SCHEMBL5596803

CC(=O)N1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NAMPT P43490 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 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
SCHEMBL5596980 0.86 USP30 (0.42) PIK3R1PIK3CACYP11B2
SCHEMBL5596332 0.85 EED (0.39) KDM4EALDH1A1KMT2AHTT
SCHEMBL5596693 0.84 DRD2 (0.40) HTR2ATMEM97SIGMAR1
SCHEMBL5596811 0.82 DRD3 (0.35)
SCHEMBL5596672 0.82 OPRL1 (0.36) KDM4EALDH1A1MAPTKMT2AHTT
SCHEMBL5597140 0.81 MEN1 (0.41) ALDH1A1KMT2APOLB
SCHEMBL5596319 0.81 OPRM1 (0.35) KMT2APOLB
SCHEMBL5597043 0.81 PIK3CD (0.38) ALDH1A1PIK3CAHTT
SCHEMBL5597107 0.80 MTNR1A (0.34) KDM4EALDH1A1MAPT
SCHEMBL5596878 0.80 USP30 (0.47) PIK3R1PIK3CACYP11B2

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 HTR2A 2293/4885TMEM97 3559/4885SIGMAR1 236/4885

“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.