SCHEMBL3140703

SCHEMBL3140703

NC(=O)c1cc(F)ccc1C[CH]C(=O)N1CCC(N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
PARP2 Q9UGN5 3/20 0.43
CACNA1B Q00975 2/20 0.41
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BTK Q06187 1/20 0.36
HTR7 P34969 1/20 0.36
TNKS O95271 1/20 0.35
PARP14 Q460N5 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL4096182 0.88 HTR2A (0.40) PARP1DPP4DPP7HTR2AHTR2C
SCHEMBL3140842 0.83 ALDH1A1 (0.35) PARP1DPP4DPP7ALDH1A1BTK
SCHEMBL3127933 0.82 BCHE (0.44) PARP1BTK
SCHEMBL4086572 0.82 NPC1 (0.50) ALDH1A1
SCHEMBL28757734 0.78 CACNA1B (0.50) CACNA1BDPP4DPP7ALDH1A1GRM2
SCHEMBL4080928 0.77 P2RX7 (0.40) PARP1DPP4ALDH1A1HTR7
SCHEMBL7364619 0.76 BTK (0.37) HTR2AHTR2CBTKPARP14
SCHEMBL3140771 0.74 NPC1 (0.40) PARP1ALDH1A1
SCHEMBL3140453 0.74 HPGD (0.43) PARP1DPP4ALDH1A1
SCHEMBL7365919 0.73 GRIN2D (0.36) PARP1HTR2AHTR2CALDH1A1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB PARP1 826/4885PARP2 1019/4885CACNA1B 3218/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB PARP1 826/4885PARP2 1019/4885CACNA1B 3218/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB PARP1 826/4885PARP2 1019/4885CACNA1B 3218/4885

“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.