SCHEMBL30831935

SCHEMBL30831935

Cc1cc(C)c2c(c1)C(N)CCC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.62
KDM4C Q9H3R0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
ACHE P22303 2/20 0.33
PSMB5 P28074 1/20 0.32
ADRA1A P35348 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL5272877 1.00 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL703510 1.00 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1976240 0.98 UGT2B17 (0.61) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL13114074 0.90 UGT2B17 (0.55) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL6799194 0.77 UGT2B17 (1.00) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL15825377 0.77 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1ADRA1A
SCHEMBL22222496 0.74 UGT2B17 (0.64) UGT2B17KDM4CSIGMAR1PSMB5HRH3
SCHEMBL1150666 0.73 ADRA2A (0.43) UGT2B17CYP11B1CYP11B2ACHEADRA1A
SCHEMBL3585626 0.73 ADRA2A (0.43) UGT2B17CYP11B1CYP11B2ACHEADRA1A
SCHEMBL15287102 0.73 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1

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-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2024-03-19 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-11932638-B2 Ion channel inhibitor compounds for cancer treatment CACNA1E, KCNA1, KCNT1 UGT2B17 2302/4885KDM4C 3493/4885SIGMAR1 897/4885

“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.