SCHEMBL31368065

SCHEMBL31368065

O=Cc1c(C(=O)N2CCC(C(=O)N[C@H]3CNC[C@H]3F)(c3ccc(F)cc3)CC2)c2cc(Cl)ccc2n1CC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.36
CNR1 P21554 7/20 0.33
CNR2 P34972 7/20 0.33
TRPA1 O75762 1/20 0.33
PRKAA2 P54646 1/20 0.32
DRD5 P21918 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
GPR183 P32249 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GPR35 Q9HC97 1/20 0.32
FASN P49327 1/20 0.31
RIPK3 Q9Y572 1/20 0.30
NPY1R P25929 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
SCHEMBL31368149 0.89 CNR2 (0.34) CDK9CNR1CNR2TRPA1DRD5
SCHEMBL31368136 0.86 CNR1 (0.38) CDK9CNR1CNR2DRD5SLC6A2
SCHEMBL31368073 0.85 USP30 (0.32) CDK9CNR1CNR2TRPA1
SCHEMBL31368133 0.85 CNR1 (0.39) CDK9CNR1CNR2DRD5SLC6A2
SCHEMBL31368156 0.81 CNR2 (0.37) CDK9CNR1CNR2TRPA1NPY1R
SCHEMBL31368093 0.76 CNR2 (0.40) CNR1CNR2DRD5SLC6A2HTR2A
SCHEMBL31368129 0.76 CNR2 (0.41) CNR1CNR2DRD5SLC6A2HTR2A
Hydrochloric Acid SCHEMBL31368109 0.72 CNR1 (0.48) CDK9CNR1CNR2DRD5SLC6A2
SCHEMBL31368125 0.70 CNR2 (0.48) CNR1CNR2
SCHEMBL31368095 0.69 CNR2 (0.47) CNR1CNR2

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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 CDK9 416/4885CNR1 1719/4885CNR2 2020/4885

“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.