Sugi Predict

Sugi Predict / Compounds / SCHEMBL3013289

SCHEMBL3013289

SCHEMBL3013289

C=CCC1(CC=C)C(=O)c2ccccc2Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAOA P21397 2/20 0.42
▸ PGR P06401 2/20 0.41
▸ HTR2A P28223 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 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
SCHEMBL3006186 0.86 PARP1 (0.37) MAOAPGRHTR2ACASP6MAPT
SCHEMBL2047434 0.76 PGR (0.44) LMNAHTTNPSR1L3MBTL1PGR
SCHEMBL9261904 0.75 KCNQ2 (0.59) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL13004186 0.75 APEX1 (0.59) LMNAHTTNPSR1L3MBTL1MAOA
Hydrochloric Acid SCHEMBL9265106 0.74 KCNQ2 (0.57) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL13004189 0.74 APEX1 (0.43) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL7936583 0.73 CHRM2 (0.40) LMNAPGRHTR2ACES1NPC1
SCHEMBL9286065 0.72 LMNA (0.65) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL2594088 0.72 PGR (0.51) LMNAHTTL3MBTL1MAOAPGR
Fluorene SCHEMBL28871819 0.71 PGR (0.36) LMNAMAOAPGRHTR2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — WO disclosed
WO-2009016084-A1 SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — WO 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-20100190764-A1 Novel compounds HCRTR1, HCRTR2, CNR1 LMNA 3145/4885HTT 273/4885NPSR1 13/4885
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 LMNA 1736/4885HTT 353/4885NPSR1 11/4885

“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.