SCHEMBL5593560

SCHEMBL5593560

COC(=O)C1=C(C)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.44
SLC6A3 Q01959 8/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 3/20 0.37
ACHE P22303 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 2/20 0.34
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8259644 0.81 CHRM3 (0.44) CHRM3SLC6A3SLC6A2SLC6A4ACHE
Hydrochloric Acid SCHEMBL3105434 0.79 CHRM3 (0.43) CHRM3SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL19549307 0.79 CHRM3 (0.43) CHRM3SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL12652755 0.78 TSHR (0.36) SLC6A3SLC6A2SLC6A4ADORA1TSHR
SCHEMBL18756753 0.77 CHRM3 (0.45) CHRM3SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL9491024 0.76 PNMT (0.39) SLC6A3SLC6A2SLC6A4ADORA1
SCHEMBL28924631 0.76 CHRM3 (0.43) CHRM3SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL22717377 0.76 CHRM3 (0.43) CHRM3SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL2490865 0.74
SCHEMBL16579387 0.72 CHRM3 (0.35) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed
WO-2007117558-A2 ANTIOXIDANTS AND METHODS OF THEIR USE MICHIGAN STATE UNIVERSITY (US) 2007-10-18 WO disclosed
WO-1995011678-A9 USE OF NICOTINE SUBSTITUTES FOR THE TREATMENT OF NICOTINE WITHDRAWAL 1995-06-08 WO disclosed
EP-0091565-A1 Process for the manufacture of isoquinoline diones F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-19 EP 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 (2 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 CHRM3 181/4885SLC6A3 3681/4885SLC6A2 2026/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 CHRM3 309/4885SLC6A3 3979/4885SLC6A2 2801/4885

“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.