Sugi Predict

Sugi Predict / Compounds / SCHEMBL5067727

SCHEMBL5067727

SCHEMBL5067727

NC(=O)c1cc(C(=O)ON2CCCC2)c2cccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ BCAT2 O15382 1/20 0.40
▸ ADRA1D P25100 5/20 0.38
▸ TSHR P16473 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ YWHAG P61981 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL2187511 0.99 NPC1 (0.44) NPC1BCAT2ADRA1DTSHRRECQL
SCHEMBL5065620 0.87 LMNA (0.41) BCAT2KDM4EMAPTHSD17B10MEN1
SCHEMBL5875070 0.76 NPC1 (0.44) NPC1TSHRRECQLKDM4EMAPT
SCHEMBL2510973 0.72 KMT2A (0.50) NPC1TSHRMAPTHSD17B10MEN1
SCHEMBL28495717 0.71 HPGD (0.53) NPC1TSHRMAPTHSD17B10MEN1
SCHEMBL1249246 0.71 HPGD (0.53) NPC1TSHRMAPTHSD17B10MEN1
SCHEMBL5874810 0.70 NPC1 (0.55) NPC1TSHRKDM4EMAPTHSD17B10
SCHEMBL1665838 0.69 TSHR (0.43) NPC1TSHRKDM4EHSD17B10MEN1
SCHEMBL29098438 0.69 HPGD (0.52) NPC1TSHRMAPTHSD17B10MEN1
SCHEMBL27981018 0.69 HTT (0.50) NPC1KDM4EMAPTALDH1A1GAA

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-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CADILA HEALTHCARE LIMITED (IN) 2008-02-28 — — US claimed
EP-1781668-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LTD. (IN) 2007-05-09 — — EP claimed
WO-2006025069-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2006-03-09 — — WO claimed
US-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CADILA HEALTHCARE LIMITED (IN) 2008-02-28 — — US disclosed
EP-1781668-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LTD. (IN) 2007-05-09 — — EP disclosed
WO-2006025069-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2006-03-09 — — 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 (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-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, GPR55 NPC1 1379/4885BCAT2 2945/4885ADRA1D 195/4885

“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.