SCHEMBL5889358

SCHEMBL5889358

COc1cc2c(cc1F)CCC[C@@H]2NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
NQO2 P16083 2/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
BDKRB1 P46663 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL8074452 1.00 HTT (0.49) HTTNCOA1NCOA3NQO2MTNR1A
SCHEMBL8063041 0.78 HTT (0.51) HTTNCOA1NCOA3NQO2MTNR1A
SCHEMBL7027773 0.78 HTT (0.51) HTTNCOA1NCOA3NQO2MTNR1A
SCHEMBL5889352 0.78 HTT (0.51) HTTNCOA1NCOA3NQO2MTNR1A
SCHEMBL1266380 0.76 TAS1R3 (0.51) HTTNQO2MTNR1AMTNR1BKMT2A
SCHEMBL1266382 0.76 TAS1R3 (0.51) HTTNQO2MTNR1AMTNR1BKMT2A
SCHEMBL22868047 0.75 LMNA (0.53) HTTKMT2AMEN1BDKRB1LMNA
SCHEMBL5889343 0.75 MTNR1A (0.45) HTTNCOA1NCOA3NQO2MTNR1A
SCHEMBL28447485 0.74 DRD5 (0.45) KMT2AMEN1
SCHEMBL29741228 0.73 KMT2A (0.50) HTTKMT2AMEN1BDKRB1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041703-B2 2-aminotetralines and pharmaceutical compositions for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-05-09 US disclosed
US-6849663-B2 2-Aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-01 US disclosed
US-20030229148-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-12-11 US disclosed
EP-1017667-B1 2-Amino-6-methyl-7-acetyl-tetraline and pharmaceutical compositions for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA TAU IND FARMACEUTI (IT) 2003-11-19 EP disclosed
US-20030158266-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-08-21 US disclosed
US-20020123652-A1 2-AMINOTETRALINES AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND THERAPEUTIC TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE PATHOLOGIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 2002-09-05 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 (3 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-20020123652-A1 2-AMINOTETRALINES AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND THERAPEUTIC TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE PATHOLOGIES AADAT, IL2, TPMT HTT 1541/4885NCOA1 4706/4885NCOA3 4632/4885
US-20030229148-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies AADAT, IL2, TPMT HTT 1280/4885NCOA1 4759/4885NCOA3 4744/4885
US-20030158266-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies AADAT, IL2, TPMT HTT 1280/4885NCOA1 4759/4885NCOA3 4744/4885

“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.