SCHEMBL25136196

SCHEMBL25136196

BC1(NC(=O)c2cc(N3CCCC3)cc(C3CCCC3)n2)CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
ABL1 P00519 3/20 0.34
HSD11B1 P28845 2/20 0.34
CFTR P13569 1/20 0.33
KMO O15229 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
P2RY12 Q9H244 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL25136198 1.00 CNR2 (0.44) CNR2ABL1HSD11B1CFTRKMO
SCHEMBL25136264 0.87 CNR2 (0.44) CNR2ABL1HSD11B1CFTRNPC1
SCHEMBL25136136 0.80 CNR2 (0.40) CNR2ABL1NPC1POLB
SCHEMBL25136066 0.80 CNR2 (0.40) CNR2ABL1NPC1POLB
SCHEMBL25136085 0.79 KMO (0.37) CNR2ABL1KMO
SCHEMBL25136144 0.79 KMO (0.37) CNR2ABL1KMONPC1RAB9A
SCHEMBL25136129 0.79 KMO (0.37) CNR2ABL1KMONPC1RAB9A
SCHEMBL25136069 0.79 PDE2A (0.43) CNR2
SCHEMBL25136311 0.76 CNR2 (0.38) CNR2ABL1KMOMAPT
SCHEMBL25136270 0.76 CNR2 (0.58) CNR2HSD11B1

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 CNR2 547/4885ABL1 585/4885HSD11B1 496/4885

“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.