SCHEMBL12635243

SCHEMBL12635243

CC[C@H](C(C)=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.46
SLC6A2 P23975 13/20 0.46
SLC6A4 P31645 8/20 0.46
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL8813400 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL12635242 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL12635278 0.98 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL12635275 0.98 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4MAPTMAPK1
Hydrochloric Acid SCHEMBL5205853 0.93 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL4441694 0.82 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL499846 0.82 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL4236955 0.81 SIGMAR1 (0.43) SLC6A3SLC6A2SLC6A4CA12CA1
SCHEMBL1008559 0.80 LMNA (0.55) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL5499957 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4MAPTMAPK1

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 1 patent. 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

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 SLC6A3 3089/4885SLC6A2 3841/4885SLC6A4 1945/4885

“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.