SCHEMBL1159652

SCHEMBL1159652

CCOC(=O)C(=O)N(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 3/20 0.34

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
SCHEMBL2757995 0.77 ALDH1A1 (0.42) POLBCYP2C9ALDH1A1LMNAHSD17B10
SCHEMBL2114681 0.77 ALDH1A1 (0.46) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL1330762 0.77 ALDH1A1 (0.46) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL1331806 0.77 ALDH1A1 (0.46) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL12193551 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21585748 0.74 POLB (0.37) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL26665546 0.73 ALDH1A1 (0.42) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL7215894 0.71 MEN1 (0.43) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL2307491 0.71 ALDH1A1 (0.40) POLBRAB9ACYP2C9ALDH1A1NPSR1
SCHEMBL12900784 0.71 FAAH (0.36) POLBRAB9AALDH1A1NPSR1GLO1

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 3 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

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 POLB 1028/4885RAB9A 1466/4885CYP2C9 2378/4885

“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.