Sugi Predict

Sugi Predict / Compounds / SCHEMBL3334933

SCHEMBL3334933

SCHEMBL3334933

[CH](CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ IDO1 P14902 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL364434 0.95 SIGMAR1 (0.48) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL11245305 0.93 SIGMAR1 (0.54) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL9825321 0.90 SIGMAR1 (0.56) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL14638684 0.89 KCNH2 (0.47) SIGMAR1MAOAMAOBADRA1ASLC6A3
SCHEMBL15563504 0.89 KCNH2 (0.49) SIGMAR1MAOAADRA1ASLC6A3L3MBTL1
SCHEMBL1289581 0.88 MAOB (0.48) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL4952027 0.88 MAOA (0.52) SIGMAR1MAOAMAOBHTR2AALOX15
SCHEMBL15563656 0.87 SIGMAR1 (0.52) SIGMAR1HTR2AADRA1ASLC6A3ALDH1A1
SCHEMBL5795177 0.86 CHRM2 (0.48) SIGMAR1MAOAMAOBHTR2AADRA1A
SCHEMBL1254322 0.86 TDP1 (0.50) SIGMAR1MAOAMAOBHTR2AIDO1

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 77 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
JP-2002510302-A — — 2002-04-02 — — JP claimed
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses GPL NIL HOLDINGS, INC., 2001-12-06 — — US claimed
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders GUILFORD PHARMACEUTICALS INC. (US) 2001-10-25 — — US claimed
EP-0769006-B1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2000-11-08 — — EP claimed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 — — EP claimed
EP-0998263-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 2000-05-10 — — 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-1999062483-A1 PIPECOLIC ACID DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 — — WO claimed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 — — WO claimed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 — — WO 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 (6 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 SIGMAR1 3620/4885MAOA 1075/4885MAOB 748/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP SIGMAR1 4024/4885MAOA 779/4885MAOB 875/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF SIGMAR1 4811/4885MAOA 968/4885MAOB 641/4885
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders PDE6D, PDE6C, PDE4D SIGMAR1 3400/4885MAOA 3122/4885MAOB 2259/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 SIGMAR1 4550/4885MAOA 740/4885MAOB 874/4885
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF SIGMAR1 4811/4885MAOA 968/4885MAOB 641/4885

“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.