SCHEMBL25136264

SCHEMBL25136264

CC1(NC(=O)c2cc(N3CCCC3)cc(C3CCCC3)n2)CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
SMYD3 Q9H7B4 4/20 0.36
HSD11B1 P28845 2/20 0.34
ABL1 P00519 1/20 0.34
CFTR P13569 1/20 0.34
AXL P30530 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLAT P00750 1/20 0.33

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
SCHEMBL25136196 0.87 CNR2 (0.44) CNR2HSD11B1ABL1CFTRNPC1
SCHEMBL25136198 0.87 CNR2 (0.44) CNR2HSD11B1ABL1CFTRNPC1
SCHEMBL25136256 0.79 KMO (0.37) CNR2SMYD3ABL1PLAT
SCHEMBL25135906 0.68 AXL (0.38) CNR2ABL1AXL
SCHEMBL25136066 0.68 CNR2 (0.40) CNR2ABL1NPC1
SCHEMBL25136136 0.68 CNR2 (0.40) CNR2ABL1NPC1
SCHEMBL30039263 0.66 CD38 (0.44) MAPT
SCHEMBL25136085 0.65 KMO (0.37) CNR2ABL1
SCHEMBL25136129 0.65 KMO (0.37) CNR2ABL1NPC1RAB9A
SCHEMBL25136144 0.65 KMO (0.37) CNR2ABL1NPC1RAB9A

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 547/4885SMYD3 2117/4885HSD11B1 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.