SCHEMBL25136291

SCHEMBL25136291

BC1(NC(=O)c2nc(C3CCCC3)ccc2F)CCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 5/20 0.38
CNR2 P34972 6/20 0.37
ATR Q13535 1/20 0.37
P2RX7 Q99572 1/20 0.35
PIM3 Q86V86 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
PIM1 P11309 3/20 0.35
ABL1 P00519 1/20 0.33
HDAC9 Q9UKV0 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL25136072 0.85 CNR2 (0.37) TRPV3CNR2ATRP2RX7PIM3
SCHEMBL25136154 0.85 CNR2 (0.37) TRPV3CNR2ATRP2RX7PIM3
SCHEMBL25136299 0.79 PIM1 (0.46) CNR2PIM3PIM2PIM1
SCHEMBL25136288 0.78 CNR2 (0.58) CNR2ATR
SCHEMBL25136270 0.78 CNR2 (0.58) CNR2ATR
SCHEMBL25135921 0.77 CNR2 (0.38) CNR2ATRP2RX7PIM3PIM2
SCHEMBL25135995 0.72 CNR2 (0.38) CNR2ATRABL1
SCHEMBL25136311 0.72 CNR2 (0.38) CNR2ATRABL1
SCHEMBL25136062 0.72 ABL1 (0.41) ABL1HDAC9
SCHEMBL25135917 0.72 ABL1 (0.41) ABL1HDAC9

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT TRPV3 1567/4885CNR2 547/4885ATR 3800/4885

“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.