SCHEMBL25136176

SCHEMBL25136176

BC1(NC(=O)c2cc(OC)nc(C3CCCC3)n2)CCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 5/20 0.33
ACKR3 P25106 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM5 P41594 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE2A O00408 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 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
SCHEMBL25136211 0.87 CBLB (0.40) GRM5
SCHEMBL25136301 0.87 CBLB (0.40) GRM5
SCHEMBL25136058 0.84 CNR2 (0.33) CNR2GRM5PDE2ARAB9A
SCHEMBL25136213 0.84 CNR2 (0.33) CNR2GRM5PDE2ARAB9A
SCHEMBL25136085 0.83 KMO (0.37) CNR2PDE2A
SCHEMBL25136144 0.83 KMO (0.37) CNR2PDE2ARAB9A
SCHEMBL25136129 0.83 KMO (0.37) CNR2PDE2ARAB9A
SCHEMBL25136125 0.83 NPC1 (0.35) TSHRCNR2LMNAPDE2ARAB9A
SCHEMBL25136400 0.83 NPC1 (0.35) TSHRCNR2LMNAPDE2ARAB9A
SCHEMBL25136304 0.82 GSK3A (0.39) CNR2PDE2A

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 ALDH1A1 358/4885TAS1R3 3170/4885TAS1R1 3380/4885

“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.