SCHEMBL3369843

SCHEMBL3369843

O=C(c1cc(O)c(O)cc1F)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
HSP90AA1 P07900 2/20 0.54
TSHR P16473 2/20 0.52
CNR1 P21554 3/20 0.52
CPS1 P31327 2/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2826036 0.83 MAPT (0.62) HSP90AA1TSHRCNR1KDM4EGAA
SCHEMBL29944128 0.77 TSHR (0.62) HPGDTSHRCNR1MAPTLMNA
SCHEMBL29816274 0.77 CNR1 (0.63) HPGDTSHRCNR1CPS1KDM4E
SCHEMBL24746425 0.77 HPGD (0.56) HPGDHSP90AA1TSHRCNR1CPS1
SCHEMBL24747198 0.77 HPGD (0.56) HPGDHSP90AA1TSHRCNR1POLB
SCHEMBL30630165 0.77 HPGD (0.56) HPGDHSP90AA1TSHRCNR1POLB
SCHEMBL4474890 0.77 SMN1; SMN2 (0.67) HSP90AA1TSHRPOLBKDM4EGAA
SCHEMBL24163381 0.76 L3MBTL3 (0.57) HPGDHSP90AA1TSHRPOLBKDM4E
Hydrochloric Acid SCHEMBL28469010 0.76 CNR1 (0.61) HPGDCNR1CPS1KDM4EMAPT
SCHEMBL969401 0.75 CCKBR (0.58) HPGDTSHRCNR1CPS1MAPT

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-1716132-B1 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-25 EP disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-7144890-B2 Spiro-pentacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
EP-1716132-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2005075450-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO disclosed
US-20050165012-A1 Spiro-pentacyclic compounds HOFFMANN-LA ROCHE INC. 2005-07-28 US disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 HPGD 259/4885HSP90AA1 2340/4885TSHR 1029/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 HPGD 351/4885HSP90AA1 1731/4885TSHR 1171/4885
US-20050165012-A1 Spiro-pentacyclic compounds CNR1, CNR2, GPR119 HPGD 338/4885HSP90AA1 2228/4885TSHR 646/4885

“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.