SCHEMBL17066360

SCHEMBL17066360

CC#Cc1ccc(C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TTR P02766 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
GRM5 P41594 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL25372844 0.78 GRM5 (0.31) TTRGRM5
SCHEMBL24850641 0.75 GRM5 (0.59) TTRKDM4EMEN1NPC1ALDH1A1
SCHEMBL701812 0.74 NOS3 (0.44) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL5742391 0.70 GRM5 (0.43) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL23075939 0.68 GRM5 (0.62) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL17066349 0.68
SCHEMBL17898206 0.67 GRM5 (0.36) NOS3NOS2KDM4EALDH1A1GRM5
SCHEMBL30824514 0.65 GRM5 (0.59) NOS2TTRKDM4EMEN1NPC1
SCHEMBL82917 0.64
SCHEMBL3071714 0.64 NOS3 (0.55) NOS3NOS1NOS2KDM4EALDH1A1

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-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 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-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 NOS3 1987/4885NOS1 2609/4885NOS2 2900/4885

“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.