SCHEMBL15908328

SCHEMBL15908328

O=C1CCCCN1C1c2ccccc2CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
PRCP P42785 2/20 0.41
CHRNA7 P36544 1/20 0.39
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A1 P18405 2/20 0.38
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15908321 0.95 MGLL (0.50) MGLLPRCPCHRNA7OPRK1OPRM1
SCHEMBL8202659 0.80 MGLL (0.56) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL8202651 0.80 MGLL (0.56) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL7373733 0.78 MGLL (0.53) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL4505498 0.75 MGLL (0.62) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL4526146 0.75 MGLL (0.62) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL4525994 0.75 MGLL (0.62) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL31664247 0.75 MGLL (0.45) MGLLOPRK1OPRM1ALDH1A1MAPT
SCHEMBL12450875 0.74 ALDH1A1 (0.56) MGLLCHRNA7OPRK1OPRM1OPRD1
SCHEMBL4500495 0.74 MGLL (0.60) MGLLCHRNA7OPRK1OPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 MGLL 4325/4885PRCP 3689/4885CHRNA7 4429/4885

“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.