SCHEMBL1083303

SCHEMBL1083303

NC(=O)CN1CCC2CCCCC21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
DPP7 Q9UHL4 1/20 0.40
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC18A3 Q16572 2/20 0.35
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TACR1 P25103 1/20 0.33
PAX8 Q06710 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL12635403 0.96 DPP7 (0.43) TSHRDPP7POLBPKMNPC1
SCHEMBL8813389 0.91 TSHR (0.40) TSHRDPP7POLBPKMNPC1
SCHEMBL1082338 0.82 L3MBTL1 (0.43) TSHRDPP7POLBNPC1RAB9A
SCHEMBL12635415 0.79 L3MBTL1 (0.43) TSHRDPP7NPC1RAB9ASMN1; SMN2
SCHEMBL6187054 0.77 CHRM5 (0.37) TSHRPOLBPKMKDM4E
Hydrochloric Acid SCHEMBL1374273 0.74 NPC1 (0.40) DPP7NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL12226488 0.74 POLB (0.39) DPP7POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27834911 0.71 TPSAB1 (0.47) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL4449748 0.71 DPP7 (0.50) DPP7POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4449743 0.71 DPP7 (0.50) DPP7POLBNPC1RAB9ASMN1; SMN2

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
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US claimed
CN-102036956-A Substituted pyrrolidine and piperidine compounds, derivatives thereof, and methods for treating pain CHLORION PHARMA INC 2011-04-27 CN claimed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP claimed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO claimed
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-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 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 (1 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-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 TSHR 4503/4885DPP7 70/4885POLB 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.