Sugi Predict

Sugi Predict / Compounds / SCHEMBL1005726

SCHEMBL1005726

SCHEMBL1005726

[CH](CCc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ G6PC1 P35575 1/20 0.47
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ EPHX2 P34913 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL20896988 0.94 OPRM1 (0.44) HRH3
SCHEMBL25239973 0.90 HRH3 (0.44) TAAR1SMN1; SMN2ALOX12HRH3
SCHEMBL8716285 0.89 EPHX2 (0.45) G6PC1EPHX2EPHX1HTTL3MBTL1
SCHEMBL8939789 0.87 EPHX1 (0.47) G6PC1EPHX2EPHX1SIGMAR1
SCHEMBL678829 0.80 G6PC1 (0.50) G6PC1GRIN1GRIN2BTAAR1EPHX2
SCHEMBL6497259 0.80 GRIN1 (0.53) G6PC1GRIN1GRIN2BTAAR1EPHX2
SCHEMBL6497263 0.80 GRIN1 (0.53) G6PC1GRIN1GRIN2BTAAR1EPHX2
SCHEMBL7407399 0.80 KDM4E (0.48) L3MBTL1HRH3
SCHEMBL493011 0.79 SLC6A2 (0.41) TAAR1SMN1; SMN2HRH3
SCHEMBL7665557 0.78 G6PC1 (0.47) G6PC1GRIN1GRIN2BEPHX2TSHR

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 — — US claimed
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 — — EP claimed
EP-1666037-A2 Compositions for stimulating neurite growth Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP claimed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 — — US claimed
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 — — US claimed
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 2004-03-11 — — US claimed
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses GLIAMED, INC. 2002-12-26 — — US claimed
US-6376517-B1 FOR TREATING VISION LOSS, PREVENTING VISION DEGENERATION, AND PROMOTING VISION REGENERATION (?NEOPSIS?) GPI NIL HOLDINGS, INC. 2002-04-23 — — US claimed
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses GPL NIL HOLDINGS, INC., 2001-12-06 — — US claimed
EP-0777478-B1 INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-07 — — EP claimed
US-6177455-B1 ADMINISTERING A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND GPI NIL HOLDINGS, INC. 2001-01-23 — — US claimed
EP-0769006-B1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2000-11-08 — — EP claimed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 — — CN claimed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 — — EP claimed
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 — — EP claimed
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 — — WO claimed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 — — WO claimed
US-5843960-A Inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1998-12-01 — — US claimed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 — — US claimed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC G6PC1 2584/4885GRIN1 98/4885GRIN2B 157/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP G6PC1 282/4885GRIN1 296/4885GRIN2B 769/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF G6PC1 2693/4885GRIN1 2272/4885GRIN2B 2394/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 G6PC1 572/4885GRIN1 755/4885GRIN2B 1219/4885
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF G6PC1 2693/4885GRIN1 2272/4885GRIN2B 2394/4885

“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.