SCHEMBL12635264

SCHEMBL12635264

CC(=O)CCN1CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.43
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GLA P06280 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 1/20 0.33
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
KDM1A O60341 1/20 0.33
ADRA1A P35348 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.32

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
SCHEMBL23344402 0.80
SCHEMBL12602739 0.80 PAOX (0.59) PAOXALDH1A1POLBMAPTL3MBTL1
SCHEMBL1007939 0.80 L3MBTL1 (0.59) ALDH1A1POLBMAPTL3MBTL1NOS3
SCHEMBL12735253 0.79 HRH3 (0.35) ALDH1A1HRH3EPHX2HTT
SCHEMBL12635284 0.78 MAPT (0.40) PAOXALDH1A1POLBMAPTL3MBTL1
SCHEMBL13993971 0.76
SCHEMBL11880993 0.76 ALDH1A1 (0.60) PAOXALDH1A1POLBMAPTL3MBTL1
SCHEMBL28640747 0.76 PAOX (0.39) PAOXALDH1A1POLBMAPTL3MBTL1
SCHEMBL8164992 0.76 NPSR1 (0.42) ALDH1A1L3MBTL1ADRA1ADRD2
SCHEMBL18361097 0.75 PAOX (0.50) PAOXALDH1A1POLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 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 (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-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK PAOX 3326/4885ALDH1A1 2544/4885POLB 2653/4885
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 PAOX 2237/4885ALDH1A1 3450/4885POLB 1933/4885

“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.