Sugi Predict

Sugi Predict / Compounds / SCHEMBL618147

SCHEMBL618147

SCHEMBL618147

NC1CC2(CCC2)Oc2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL619899 0.88 KDM4E (0.41) ALDH1A1MAPTKDM4EL3MBTL1HPGD
SCHEMBL619207 0.82 TRPV1 (0.37) RAF1HTR2B
SCHEMBL4814770 0.82 KDM4E (0.41) ALDH1A1KDM4ERAF1LMNAHTR2B
SCHEMBL617794 0.82 HTR2C (0.39) RAF1SMN1; SMN2HTR2B
Hydrochloric Acid SCHEMBL620214 0.81 KDM4E (0.40) ALDH1A1KDM4ERAF1LMNAHTR2B
SCHEMBL11481355 0.80 CA2 (0.44) CA2CA5AALDH1A1MAPTKDM4E
SCHEMBL1934631 0.79 CA2 (0.43) CA2CA5AALDH1A1MAPTKDM4E
SCHEMBL4361281 0.78 RAF1 (0.33) KDM4ERAF1
SCHEMBL619734 0.78 MAPT (0.44) ALDH1A1MAPTKDM4EESR1ESR2
SCHEMBL10585397 0.78 KDM4E (0.45) CA2CA5AALDH1A1MAPTKDM4E

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
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 — — EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 — — US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 — — US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 — — US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 — — US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 — — US disclosed
EP-1931681-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Glenmark Pharmaceuticals S.A. (CH) 2008-06-18 — — EP disclosed
WO-2007042906-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2007-04-19 — — 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 CA2 1956/4885CA5A 1171/4885ALDH1A1 665/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 CA2 1822/4885CA5A 1089/4885ALDH1A1 604/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 CA2 1822/4885CA5A 1089/4885ALDH1A1 604/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 CA2 1956/4885CA5A 1171/4885ALDH1A1 665/4885

“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.