SCHEMBL13994637

SCHEMBL13994637

O=C(COc1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ ENPP2 Q13822 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MC4R P32245 3/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 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
SCHEMBL2025623 0.89 ENPP2 (0.49) ENPP2HPGDMEN1KMT2AOPRM1
SCHEMBL4953825 0.89 PARP1 (0.43) PARP1ENPP2ALDH1A1HPGDMAPT
SCHEMBL4953064 0.85 ENPP2 (0.52) ENPP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4953381 0.85 ALDH1A1 (0.56) ENPP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4955049 0.82 OPRM1 (0.43) HPGDMAPTMEN1KMT2ANPSR1
SCHEMBL4956366 0.82 OPRM1 (0.43) ALDH1A1HPGDMEN1KMT2AOPRM1
SCHEMBL4953615 0.81 FKBP1A (0.47) ALDH1A1HPGDMAPTSMN1; SMN2OPRM1
SCHEMBL4954060 0.81 ENPP2 (0.47) ENPP2HPGDMAPTMEN1KMT2A
SCHEMBL4952842 0.80 FKBP1A (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4952708 0.80 OPRM1 (0.45) HPGDMEN1KMT2AOPRM1OPRK1

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 2 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

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 PARP1 4605/4885ENPP2 3541/4885ALDH1A1 119/4885

“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.

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