SCHEMBL12635403

SCHEMBL12635403

NC(=O)CN1CCC2CCCC21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 1/20 0.33
PAX8 Q06710 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
SLC18A3 Q16572 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1083303 0.96 TSHR (0.42) DPP7TSHRPOLBPKMKDM4E
SCHEMBL8813389 0.87 TSHR (0.40) DPP7TSHRPOLBPKMKDM4E
SCHEMBL12635415 0.82 L3MBTL1 (0.43) DPP7TSHRKDM4ERAB9ANPC1
SCHEMBL1082338 0.79 L3MBTL1 (0.43) DPP7TSHRPOLBRAB9ANPC1
SCHEMBL6187054 0.74 CHRM5 (0.37) TSHRPOLBPKMKDM4E
SCHEMBL13419781 0.73 DPP7 (0.36) DPP7SLC18A3
SCHEMBL25044910 0.71 DPP7 (0.42) DPP7SLC18A3DRD2
SCHEMBL12226488 0.70 POLB (0.39) DPP7POLBRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1374273 0.70 NPC1 (0.40) DPP7RAB9ANPC1SMN1; SMN2TACR1
SCHEMBL12144250 0.70 HCRTR1 (0.37) DPP7SLC18A3DRD2

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 3 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-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 DPP7 70/4885TSHR 4503/4885POLB 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.