SCHEMBL6356440

SCHEMBL6356440

COc1ccc(CC#N)c(F)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
CHRM2 P08172 2/20 0.36
OPRK1 P41145 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TUBB1 Q9H4B7 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL7097601 0.86 TUBB1 (0.35) CYP1A2KDM4ETSHRTUBB1ALDH1A1
SCHEMBL3188680 0.84 MEP1B (0.44) ALDH1A1
SCHEMBL6234576 0.84 AOC3 (0.49) AOC3SMN1; SMN2LMNACHRM2OPRK1
SCHEMBL30936908 0.81 ALOX5AP (0.39)
SCHEMBL10648349 0.81 AOC3 (0.39) AOC3SMN1; SMN2LMNACHRM2OPRK1
SCHEMBL9786028 0.81 AOC3 (0.39) AOC3SMN1; SMN2LMNACHRM2OPRK1
SCHEMBL150075 0.79 CA1 (0.40) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL7273837 0.78 SLC2A1 (0.42) AOC3SMN1; SMN2LMNACHRM2OPRK1
SCHEMBL3239941 0.77 HTR2A (0.42) SMN1; SMN2CHRM2TSHRCHRM1HTR2A
SCHEMBL31287875 0.77 MEP1B (0.35) ALDH1A1

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-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
EP-0209275-B1 BENZ-TRISUBSTITUTED 2-AMINOTETRALINS SMITHKLINE BECKMAN CORPORATION (US) 1988-10-19 EP disclosed
EP-0209275-A1 Benz-trisubstituted 2-aminotetralins SMITHKLINE BECKMAN CORPORATION (US) 1987-01-21 EP disclosed
EP-0007070-B1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 AOC3 1264/4885SMN1; SMN2 2363/4885LMNA 3832/4885

“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.