SCHEMBL1159435

SCHEMBL1159435

CCOC(=O)C(=O)N1CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 5/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
PKM P14618 1/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL7435072 0.84 TSHR (0.39) GAAL3MBTL1CNR2KDM4EALDH1A1
SCHEMBL12193293 0.80 CNR2 (0.33) CNR2TSHR
SCHEMBL8618022 0.79 TSHR (0.38) GAAL3MBTL1KDM4EALDH1A1TSHR
SCHEMBL1159175 0.74 TSHR (0.38) CNR2TSHR
SCHEMBL13713515 0.72 ALDH1A1 (0.39) MAPTOPRM1CNR2ALDH1A1TSHR
SCHEMBL6331933 0.70 MAPT (0.62) MAPTGAAL3MBTL1PKMKDM4E
SCHEMBL11892711 0.69 L3MBTL1 (0.36) L3MBTL1OPRM1CNR2TSHR
SCHEMBL3577018 0.69 KDM4E (0.40) GAAL3MBTL1KDM4EALDH1A1TSHR
SCHEMBL15260667 0.69 TSHR (0.36) GAAL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL31520536 0.69 TSHR (0.36) GAAL3MBTL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
EP-2252611-B1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
EP-2252611-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. Organon (NL) 2010-11-24 EP disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 WO 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 MAPT 3274/4885GAA 3632/4885L3MBTL1 3938/4885

“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.