SCHEMBL3144701

SCHEMBL3144701

O=C(C(=O)N1CCC[C@H]1C(=O)O)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.52
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.44
CHRNA7 P36544 1/20 0.44
LTA4H P09960 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGA4 P13612 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14407800 1.00 ACE (0.52) ACEPTPN1ALDH1A1SMN1; SMN2CES2
SCHEMBL14407794 0.96 ACE (0.48) ACEPTPN1ALDH1A1SMN1; SMN2CES2
SCHEMBL14407799 0.95 ACE (0.47) ACEPTPN1ALDH1A1SMN1; SMN2CES2
SCHEMBL5310085 0.86 CHRNA7 (0.56) ACEALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL15347856 0.82 CHRNA7 (0.55) ACEALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL11227099 0.82 ACE (0.64) ACE
SCHEMBL8810826 0.79 FKBP1A (0.68)
SCHEMBL7992283 0.79 FKBP1A (0.68)
SCHEMBL8552264 0.78 ALDH1A1 (0.57) ACEALDH1A1SMN1; SMN2ITGB3ITGB1
SCHEMBL3148908 0.78 ALDH1A1 (0.57) ACEALDH1A1SMN1; SMN2ITGB3ITGB1

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 62 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-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-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-6239164-B1 IMMUNOPHILIN AFFINITY; NONIMMUNOSUPPRESSANT GPI NIL HOLDINGS, INC. 2001-05-29 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
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 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
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 (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 ACE 2889/4885PTPN1 4489/4885ALDH1A1 508/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP ACE 371/4885PTPN1 623/4885ALDH1A1 3637/4885
US-20050272780-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP1A, PREP ACE 339/4885PTPN1 801/4885ALDH1A1 3358/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ACE 2839/4885PTPN1 2441/4885ALDH1A1 757/4885
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders PDE6D, PDE6C, PDE4D ACE 3129/4885PTPN1 3711/4885ALDH1A1 2196/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 ACE 636/4885PTPN1 668/4885ALDH1A1 3064/4885
US-20010029263-A1 Novel pyrrolidine carboxylate hair revitalizing agents PDCD1, PDCD4, PDCD5 ACE 3740/4885PTPN1 163/4885ALDH1A1 1810/4885
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ACE 2839/4885PTPN1 2441/4885ALDH1A1 757/4885

“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.