SCHEMBL3148908

SCHEMBL3148908

O=C(C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ITGB3 P05106 1/20 0.55
ITGB1 P05556 1/20 0.55
ITGAV P06756 1/20 0.55
ITGA5 P08648 1/20 0.55
ITGA4 P13612 1/20 0.55
ACE P12821 3/20 0.53
FKBP1A P62942 2/20 0.52
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 1/20 0.49
ALOX5 P09917 1/20 0.48
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL8552264 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL5966137 0.95 FKBP1A (0.57) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL5966186 0.95 FKBP1A (0.57) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL5966141 0.95 FKBP1A (0.57) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL14407796 0.94 FKBP1A (0.56) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL7247533 0.90 FKBP1A (0.45) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL14407859 0.86 ALOX5 (0.54) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL6079299 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL14407821 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL13230 0.83 CA2 (0.67) ALDH1A1SMN1; SMN2CA2

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 48 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
US-20050272780-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD NIL HOLDINGS, INC. 2005-12-08 US 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-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses GLIAMED, INC. 2002-12-26 US 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
US-20010029263-A1 Novel pyrrolidine carboxylate hair revitalizing agents GPI NIL HOLDINGS, INC. 2001-10-11 US claimed
US-6218423-B1 ADMINISTERING PYRROLIDINE DERIVATIVE FOR THERAPY OF NERVE-RELATED VISION DISORDER, IMPROVING VISION, TREATING MEMORY IMPAIRMENT, OR ENHANCING MEMORY PERFORMANCE IN ANIMAL GPI NIL HOLDINGS, INC. 2001-04-17 US 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
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP 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
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 US disclosed
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 EP disclosed
US-5795908-A FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS GPI NIL HOLDINGS, INC. (US) 1998-08-18 US disclosed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 US disclosed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 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 (8 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 ALDH1A1 508/4885SMN1; SMN2 2678/4885ITGB3 4050/4885
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 ALDH1A1 2906/4885SMN1; SMN2 2314/4885ITGB3 4625/4885
US-20050272780-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP1A, PREP ALDH1A1 3358/4885SMN1; SMN2 2456/4885ITGB3 4696/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ALDH1A1 757/4885SMN1; SMN2 4826/4885ITGB3 4795/4885
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders PDE6D, PDE6C, PDE4D ALDH1A1 2196/4885SMN1; SMN2 1647/4885ITGB3 4874/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 ALDH1A1 3064/4885SMN1; SMN2 2061/4885ITGB3 4725/4885
US-20010029263-A1 Novel pyrrolidine carboxylate hair revitalizing agents PDCD1, PDCD4, PDCD5 ALDH1A1 1810/4885SMN1; SMN2 4843/4885ITGB3 4822/4885
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ALDH1A1 757/4885SMN1; SMN2 4826/4885ITGB3 4795/4885

“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.