SCHEMBL5889366

SCHEMBL5889366

COC(=O)[C@@H]1CCc2cc(OC)c(F)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PIN1 Q13526 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
NQO2 P16083 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
DRD5 P21918 2/20 0.36

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
SCHEMBL345477 1.00 KMT2A (0.41) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL8071191 1.00 KMT2A (0.41) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL10439319 0.90 KDM4E (0.45) KMT2AKDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL5889377 0.87 CYP1A2 (0.49) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL5889344 0.87 CYP1A2 (0.49) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL346280 0.87 CYP1A2 (0.49) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL5889376 0.87 CYP1A2 (0.49) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL346652 0.84 DRD2 (0.39) KMT2AKDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL7457086 0.80 PDE4B (0.51)
SCHEMBL19669833 0.78 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1

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 KMT2A 1315/4885LMNA 2606/4885MEN1 1977/4885
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 KMT2A 1188/4885LMNA 2373/4885MEN1 2240/4885
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 KMT2A 1188/4885LMNA 2373/4885MEN1 2240/4885

“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.