SCHEMBL6485205

SCHEMBL6485205

CCOC(=O)CC(=O)NCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
TRPV1 Q8NER1 1/20 0.49
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
POLB P06746 1/20 0.45
FDFT1 P37268 1/20 0.45
MAPK14 Q16539 1/20 0.45
PTGER1 P34995 1/20 0.45
VNN1 O95497 1/20 0.44

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
SCHEMBL6989302 0.87 CNR1 (0.58) CNR1TRPV1LTA4HEPHX2PPARG
SCHEMBL6476422 0.85 MTNR1A (0.63) CNR1MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL3939774 0.83 PPARA (0.51) CNR1PPARGPPARACHRM2CHRM1
SCHEMBL15818398 0.81 PPARA (0.55) CNR1PPARGPPARACHRM2CHRM1
SCHEMBL1869446 0.80 POLB (0.50) CNR1PPARGPPARACHRM2CHRM1
SCHEMBL27422506 0.79 CNR1 (0.67) CNR1TRPV1LTA4HEPHX2CHRM2
SCHEMBL7643257 0.79 CNR1 (0.63) CNR1TRPV1LTA4HEPHX2MTNR1A
SCHEMBL3255177 0.79 PPARA (0.52) CNR1PPARGPPARACHRM2CHRM1
SCHEMBL6482686 0.78 HDAC3 (0.64) MTNR1AMTNR1BPOLB
SCHEMBL16839828 0.78 CETP (0.51) CNR1LTA4HCHRM2CHRM1CHRM3

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 6 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-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 CNR1 3202/4885TRPV1 2579/4885LTA4H 1925/4885
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A CNR1 3290/4885TRPV1 3490/4885LTA4H 1822/4885

“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.