SCHEMBL4708979

SCHEMBL4708979

CO[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2C P28335 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.47
PDE4B Q07343 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 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
SCHEMBL6669239 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15703091 0.92 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15648136 0.92 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12683590 0.92 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12347276 0.92 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12225534 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15648799 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22537071 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7501174 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12347280 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660504-B1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER (US) 2008-10-29 EP disclosed
EP-1660504-B1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER (US) 2008-10-29 EP disclosed
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 US disclosed
US-20050090509-A1 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents Agouron Pharmaceuticals,Inc. 2005-04-28 US disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
EP-1483268-A2 INDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003074529-A2 iNDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2003-09-12 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 (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-20050090509-A1 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents CCNA1, PGF, CCNA2 SMN1; SMN2 3218/4885NPC1 4562/4885RAB9A 3236/4885
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP SMN1; SMN2 4142/4885NPC1 3289/4885RAB9A 2332/4885
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP SMN1; SMN2 4424/4885NPC1 2092/4885RAB9A 1814/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP SMN1; SMN2 4424/4885NPC1 2092/4885RAB9A 1814/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 SMN1; SMN2 4158/4885NPC1 2799/4885RAB9A 2819/4885

“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.