SCHEMBL25696540

SCHEMBL25696540

Cc1ccnc(C2CCC2)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.36
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 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
SCHEMBL25696515 0.93 OPRL1 (0.38) OPRL1KDM4EHTTTLR9TLR7
SCHEMBL25725449 0.81 OPRL1 (0.31) OPRL1
SCHEMBL16132376 0.75 OPRL1 (0.32) OPRL1
SCHEMBL25144321 0.75 OPRL1 (0.32) OPRL1
SCHEMBL16132322 0.74 OPRL1 (0.31) OPRL1
SCHEMBL16132332 0.74 OPRL1 (0.31) OPRL1
SCHEMBL29210935 0.73 NOS3 (0.41) OPRL1KDM4EHTTCCR1CCR5
SCHEMBL27340986 0.72 OPRL1 (0.33) OPRL1KDM4EHTTTLR9TLR7
SCHEMBL31214511 0.71 NOS2 (0.36) OPRL1KDM4EHTTKDM5B
SCHEMBL31214347 0.71 NOS2 (0.36) OPRL1KDM4EHTTKDM5BJAK2

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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 OPRL1 2939/4885KDM4E 4302/4885HTT 1361/4885

“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.