SCHEMBL4955103

SCHEMBL4955103

O=C(COc1cc(F)ccc1Br)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
HTR7 P34969 4/20 0.44
HTR6 P50406 4/20 0.44
AKR1A1 P14550 1/20 0.44
AKR1B1 P15121 1/20 0.44
POLB P06746 1/20 0.42
NR3C2 P08235 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 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
SCHEMBL4951458 0.92 ALDH1A1 (0.56) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4955535 0.90 FKBP1A (0.47) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4954789 0.90 OPRM1 (0.45) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4953615 0.88 FKBP1A (0.47) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4952781 0.86 HTT (0.48) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4952842 0.86 FKBP1A (0.56) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4953342 0.85 KDM4E (0.55) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4949410 0.84 FKBP1A (0.52) ALDH1A1HTR1AHTR2AHTR7HTR6
SCHEMBL4955471 0.83 FKBP1A (0.47) ALDH1A1KDM4EHTR1AHTR2AHTR7
SCHEMBL4948828 0.83 ENPP2 (0.49) ALDH1A1HTR1AHTR2AHTR7HTR6

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 ALDH1A1 119/4885KDM4E 3978/4885HTR1A 815/4885

“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.