SCHEMBL6368757

SCHEMBL6368757

Nc1cc2c(c(C(=O)N3CC(O)C(O)C3)c1)OCCCO2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.31
CHRNA4 P43681 1/20 0.31
MAPK8 P45983 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL6368587 0.85 HPGD (0.55) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL6368753 0.84 HPGD (0.57) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL6369872 0.83 HPGD (0.46) SMN1; SMN2HPGDKDM4ETSHR
SCHEMBL6368985 0.81 HPGD (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL6369845 0.81 HPGD (0.44) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL6367990 0.80 ALDH1A1 (0.41) HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL6374647 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HPGDKDM4EMAPK8RECQL
SCHEMBL6369200 0.77 PARP1 (0.44) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL7260293 0.77 L3MBTL1 (0.43) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL11269666 0.75 HPGD (0.51) SMN1; SMN2HPGDKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 US claimed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 US claimed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 US claimed
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO claimed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 EP claimed
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 US disclosed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 US disclosed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 US disclosed
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 EP 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 (2 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-20030199553-A1 Antidiabetic agents GPR119, IRS1, INSR HCRTR1 1373/4885HCRTR2 2474/4885SMN1; SMN2 2393/4885
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal PYGM, PYGL, IRS1 HCRTR1 1360/4885HCRTR2 1687/4885SMN1; SMN2 3622/4885

“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.