SCHEMBL4953406

SCHEMBL4953406

O=C(COc1c(Br)cccc1Br)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.46
▸ HTR2A P28223 11/20 0.46
▸ HTR7 P34969 11/20 0.46
▸ HTR6 P50406 11/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ IP6K1 Q92551 2/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL4953313 0.89 HTR1A (0.49) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4954789 0.89 OPRM1 (0.45) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4952253 0.87 OPRM1 (0.45) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4948705 0.87 OPRM1 (0.45) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4951614 0.86 OPRM1 (0.44) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4948948 0.85 ALDH1A1 (0.43) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4951481 0.85 CYP2D6 (0.45) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4953715 0.85 MAPT (0.54) OPRM1OPRK1OPRL1BACE1MEN1
SCHEMBL4953282 0.85 HTR1A (0.46) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL4948679 0.84 MEN1 (0.44) HTR1AHTR2AHTR7HTR6OPRM1

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 HTR1A 815/4885HTR2A 1155/4885HTR7 774/4885

“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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