SCHEMBL3149899

SCHEMBL3149899

[CH2]CCc1cc(OC)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
AOC3 Q16853 1/20 0.60
IDO1 P14902 2/20 0.58
HTR2A P28223 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTR2C P28335 1/20 0.49

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
SCHEMBL5832224 0.85 APLNR (0.59) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL1547907 0.84 IDO1 (0.61) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL5154843 0.82 ADRA1A (0.70) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL6183234 0.81 TAAR1 (0.44) ADRA1ATAAR1AOC3IDO1
SCHEMBL25308876 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL8867858 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL7524528 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL479514 0.81 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL1145887 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL7060410 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP claimed
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 2004-03-11 US claimed
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-30 US claimed
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses GLIAMED, INC. 2002-12-26 US claimed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO claimed
JP-2002510302-A 2002-04-02 JP 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
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 US claimed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO claimed
EP-0769006-A4 GUILFORD PHARM INC (US) 1997-05-28 EP claimed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 EP claimed
WO-1996040633-A9 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY 1997-02-27 WO 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 (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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC ADRA1A 2840/4885TAAR1 895/4885AOC3 540/4885
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NGF, BDNF, GAP43 ADRA1A 311/4885TAAR1 1662/4885AOC3 792/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP ADRA1A 4429/4885TAAR1 4415/4885AOC3 3781/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ADRA1A 4220/4885TAAR1 2701/4885AOC3 2324/4885

“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.