SCHEMBL6484083

SCHEMBL6484083

CCOC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL6475948 0.94 KMT2A (0.62) KMT2ALMNAALDH1A1MAPT
SCHEMBL6478319 0.94 KMT2A (0.62) KMT2ALMNAMAPT
SCHEMBL6023129 0.91 BCHE (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL6476553 0.91 KMT2A (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL6023518 0.90 KMT2A (0.55) KMT2AMEN1CA12CA1CA2
SCHEMBL3370380 0.90 KMT2A (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL6023779 0.90 KMT2A (0.51) KMT2AMEN1CA12CA1CA2
SCHEMBL6490406 0.89 CA1 (0.68) KMT2AMEN1CA12CA1CA2
SCHEMBL6023108 0.89 CA1 (0.54) KMT2AMEN1CA1CA2LMNA
SCHEMBL6023639 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930114-B2 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-16 US disclosed
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-07-15 US disclosed
US-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives NIEWOHNER ULRICH (DE) 2003-12-25 US disclosed
EP-1347973-A1 PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2003051877-A1 2-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINES AGAINST CANCER BAYER CORPORATION (US) 2003-06-26 WO disclosed
WO-2003014117-A1 3-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO disclosed
WO-2003014116-A1 PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO disclosed
WO-2003014115-A1 3-SUBSTITUTED PYRROLO (2.1-A) ISOQUINOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2003-02-20 WO disclosed
WO-2003014116-A1 PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO disclosed
WO-2002048144-A1 PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-20 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 (2 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-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives PDE5A, PDE2A, PDE3A KMT2A 2561/4885MEN1 2332/4885CA12 4576/4885
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A KMT2A 1344/4885MEN1 2026/4885CA12 4100/4885

“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.