SCHEMBL4096182

SCHEMBL4096182

NCC1CCN(C(=O)[CH]Cc2ccc(F)cc2C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
BTK Q06187 3/20 0.39
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 1/20 0.37
KDM1A O60341 1/20 0.36
PARP1 P09874 3/20 0.36
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BPTF Q12830 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TNKS O95271 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL3140703 0.88 PARP1 (0.43) HTR2AHTR2CBTKDPP4DPP7
SCHEMBL3140842 0.81 ALDH1A1 (0.35) BTKDPP4DPP7PARP1ALDH1A1
SCHEMBL7364619 0.81 BTK (0.37) HTR2AHTR2CBTKPARP14
SCHEMBL3127933 0.80 BCHE (0.44) BTKPARP1
SCHEMBL4086572 0.78 NPC1 (0.50) ALDH1A1
SCHEMBL7444511 0.78 PARP14 (0.36) HTR2AHTR2CBTKPARP1TNKS
SCHEMBL4080928 0.76 P2RX7 (0.40) DPP4PARP1ALDH1A1
SCHEMBL7365919 0.76 GRIN2D (0.36) HTR2AHTR2CBTKPARP1ALDH1A1
SCHEMBL3140771 0.72 NPC1 (0.40) PARP1ALDH1A1
SCHEMBL3140453 0.72 HPGD (0.43) DPP4PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US 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 HTR2A 3982/4885HTR2C 4368/4885BTK 2936/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB HTR2A 3982/4885HTR2C 4368/4885BTK 2936/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB HTR2A 3982/4885HTR2C 4368/4885BTK 2936/4885

“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.