SCHEMBL30534720

SCHEMBL30534720

CCc1ccccc1-c1ccc2c(c1)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.60
ASIC3 Q9UHC3 5/20 0.49
SYK P43405 2/20 0.46
PNMT P11086 1/20 0.46
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
TRPA1 O75762 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CFD P00746 1/20 0.42
F11 P03951 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL22866959 0.78 CD274 (0.86) CD274ASIC3PNMTCD44MAOB
SCHEMBL4553211 0.78 CD274 (0.60) CD274ASIC3SYKPNMTCD44
SCHEMBL25405965 0.77 CD274 (0.74) CD274ASIC3SYKPNMTCD44
SCHEMBL20294456 0.77 CD274 (0.80) CD274ASIC3PNMTCD44MAOB
SCHEMBL1906811 0.77 TRPA1 (0.48) TRPA1
SCHEMBL3704728 0.76 CD274 (0.55) CD274ASIC3SYKPNMTCD44
SCHEMBL18554761 0.75 CYP3A4 (0.52) CD274ASIC3PNMTCD44MAOB
SCHEMBL25402840 0.75 CD274 (0.61) CD274ASIC3PNMTCD44MAOB
SCHEMBL3703063 0.75 CD274 (0.54) CD274ASIC3SYKPNMTCD44
SCHEMBL22807512 0.75 CD274 (1.00) CD274ASIC3PNMTCD44MAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 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-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 CD274 2901/4885ASIC3 4250/4885SYK 3886/4885

“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.