SCHEMBL20682190

SCHEMBL20682190

CC(C)(C)C1=CC2CCC(C1)N2C(=O)OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.39
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 1/20 0.36
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
WDR5 P61964 2/20 0.31
CNR2 P34972 1/20 0.31
HSD11B1 P28845 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL19014089 0.82 CXCR3 (0.38) CXCR3JAK1JAK2GPR119KCNH2
SCHEMBL16635345 0.79 CHRM2 (0.47) CXCR3GPR119CHRM2CHRM1CHRM3
SCHEMBL20682202 0.79 JAK1 (0.37) JAK1JAK2
SCHEMBL19398852 0.77 CXCR3 (0.36) CXCR3CHRM2CHRM1CHRM3HSD11B1
SCHEMBL20682192 0.72 JAK1 (0.38) CXCR3JAK1JAK2
SCHEMBL20682372 0.72 JAK1 (0.38) CXCR3JAK1JAK2
SCHEMBL7385447 0.69 CXCR3 (0.42) CXCR3GPR119CHRM1
SCHEMBL3144755 0.68 CXCR3 (0.41) CXCR3CHRM1
SCHEMBL18100260 0.66 CHRM2 (0.50) GPR119CHRM2CHRM1CHRM3WDR5
SCHEMBL8241867 0.66 CHRM2 (0.50) JAK1GPR119CHRM2CHRM1CHRM3

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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CXCR3 294/4885JAK1 2/4885JAK2 1/4885

“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.