SCHEMBL4952253

SCHEMBL4952253

O=C(COc1c(F)cccc1F)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
HTR1A P08908 10/20 0.44
HTR2A P28223 10/20 0.44
HTR7 P34969 10/20 0.44
HTR6 P50406 10/20 0.44
FKBP1A P62942 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4953282 0.93 HTR1A (0.46) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4952842 0.89 FKBP1A (0.56) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4955471 0.89 FKBP1A (0.47) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4953313 0.87 HTR1A (0.49) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4953406 0.87 HTR1A (0.46) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4948705 0.87 OPRM1 (0.45) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4951614 0.86 OPRM1 (0.44) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4951481 0.85 CYP2D6 (0.45) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4949410 0.85 FKBP1A (0.52) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL4948828 0.84 ENPP2 (0.49) OPRM1OPRK1OPRL1HTR1AHTR2A

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-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME KOWA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME KOWA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME KOWA CO., LTD. (JP) 2008-12-11 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-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 OPRM1 1245/4885OPRK1 277/4885OPRL1 496/4885

“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.