SCHEMBL22601465

SCHEMBL22601465

CCCCCCC(C)(C)c1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.38
▸ CNR1 P21554 12/20 0.36
▸ PSMD14 O00487 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ RAD52 P43351 1/20 0.33

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
SCHEMBL19177001 0.87 PSMD14 (0.33) CNR2CNR1PSMD14HSP90AA1MMP2
SCHEMBL19987518 0.86 ALDH1A1 (0.32) —
SCHEMBL23502493 0.84 PSMD14 (0.32) CNR2CNR1PSMD14HSP90AA1MMP2
SCHEMBL22624130 0.84 TLR8 (0.33) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL20047718 0.83 ALDH1A1 (0.31) —
SCHEMBL18415010 0.79 BRS3 (0.38) —
SCHEMBL18737434 0.78 CNR2 (0.41) CNR2CNR1
SCHEMBL22023766 0.77 TLR8 (0.33) —
SCHEMBL21166257 0.77 KDM4E (0.49) CNR2CNR1
SCHEMBL18852709 0.77 CNR2 (0.36) CNR2CNR1

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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 — — US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 — — 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 (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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R CNR2 144/4885CNR1 113/4885PSMD14 4170/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CNR2 4755/4885CNR1 4518/4885PSMD14 1082/4885

“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.

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