SCHEMBL23613331

SCHEMBL23613331

CC(C)CNC(=O)C(C)(C)C/C=C/COCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
CNR2 P34972 4/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
CNR1 P21554 2/20 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
SCHEMBL25959971 0.87 CYP2D6 (0.33) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL25962596 0.86 CNR1 (0.33) CNR1
SCHEMBL25940400 0.77 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL23612811 0.77 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL23872600 0.77 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL23612812 0.73
SCHEMBL25939928 0.73 PPARG (0.38) CYP2D6CYP2C19CNR2PPARGPPARD
SCHEMBL23613258 0.72 CYP2D6 (0.35) CYP2D6CYP2C19MMP1MMP8
SCHEMBL23613514 0.70
SCHEMBL23613459 0.70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 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 (3 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CYP2D6 216/4885CYP2C19 127/4885MMP1 2675/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CYP2D6 216/4885CYP2C19 127/4885MMP1 2675/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2D6 216/4885CYP2C19 127/4885MMP1 2675/4885

“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.