SCHEMBL18068024

SCHEMBL18068024

CC(C)c1cc(C(C)C)nc(C2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.39
PDE4A P27815 8/20 0.39
PDE4B Q07343 8/20 0.39
PDE4C Q08493 8/20 0.39
PDE4D Q08499 8/20 0.39
PDE10A Q9Y233 3/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PDE8B O95263 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL18068012 0.94 PDE10A (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21212780 0.89 NOS3 (0.35) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12986697 0.84 PDE10A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20642371 0.84 PDE10A (0.35) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL25928397 0.82 PDE10A (0.34) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20642389 0.80 PDE10A (0.32) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21212746 0.80 PDE10A (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL22681226 0.77 CHRNA7 (0.45) CCNT1CDK9HRH4ALOX5APFEN1
SCHEMBL24750096 0.76 PDE10A (0.33) PDE10ACCNT1CDK9
SCHEMBL22550831 0.76 PDE2A (0.42)

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
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 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 (2 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 CHRM3 970/4885PDE4A 964/4885PDE4B 1222/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 CHRM3 970/4885PDE4A 964/4885PDE4B 1222/4885

“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.