SCHEMBL13360773

SCHEMBL13360773

CCC(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.51
CASP1 P29466 1/20 0.51
RAB9A P51151 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 8/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16181356 0.85 KMT2A (0.59) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL31466159 0.83 KMT2A (0.57) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL226481 0.81 KMT2A (0.54) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL8904582 0.81 KMT2A (0.51) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL21480181 0.81 OPRM1 (0.41) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL6338363 0.80 L3MBTL1 (0.57) KMT2AHSD17B10MEN1LMNASMN1; SMN2
SCHEMBL13088273 0.79 KMT2A (0.56) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL14542492 0.79 ALDH1A1 (0.52) KMT2AHSD17B10MAPK1MEN1LMNA
SCHEMBL12526186 0.78 OPRM1 (0.42) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL14467628 0.78 ALDH1A1 (0.58) KMT2AHSD17B10MAPK1MEN1LMNA

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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 KMT2A 2274/4885HSD17B10 3639/4885MAPK1 1515/4885

“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.