SCHEMBL4955535

SCHEMBL4955535

O=C(COc1cc(F)ccc1F)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR7 P34969 4/20 0.46
HTR6 P50406 4/20 0.46
AKR1A1 P14550 1/20 0.45
AKR1B1 P15121 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NR3C2 P08235 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4953615 0.92 FKBP1A (0.47) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4952842 0.92 FKBP1A (0.56) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4955103 0.90 ALDH1A1 (0.47) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4953825 0.89 PARP1 (0.43) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4952781 0.88 HTT (0.48) HTR1AHTR2AHTR7HTR6HPGD
SCHEMBL4951458 0.88 ALDH1A1 (0.56) HTR1AHTR2AHTR7HTR6AKR1A1
SCHEMBL4955471 0.87 FKBP1A (0.47) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4948793 0.86 HTR1A (0.48) HTR1AHTR2AHTR7HTR6HPGD
SCHEMBL4949410 0.85 FKBP1A (0.52) FKBP1AHTR1AHTR2AHTR7HTR6
SCHEMBL4948828 0.85 ENPP2 (0.49) HTR1AHTR2AHTR7HTR6AKR1A1

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 FKBP1A 363/4885HTR1A 815/4885HTR2A 1155/4885

“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.