SCHEMBL20756342

SCHEMBL20756342

CC(C)CCN1CCCC1CN

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
NCF1 P14598 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GBA1 P04062 1/20 0.33
SLC7A5 Q01650 1/20 0.32
POLB P06746 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
SCHEMBL12039770 0.85 HRH3 (0.41) HTTMAPTL3MBTL1ALDH1A1GAA
SCHEMBL6960540 0.83 SPHK1 (0.46) HTTMAPTL3MBTL1SPHK1LMNA
SCHEMBL13995203 0.83 SPHK1 (0.46) HTTMAPTL3MBTL1SPHK1LMNA
SCHEMBL10808055 0.80 CHRM3 (0.38) HTTL3MBTL1
SCHEMBL21870608 0.80 CHRM3 (0.38) HTTL3MBTL1
SCHEMBL4375455 0.80 S1PR1 (0.41) HTTNCF1L3MBTL1SPHK1S1PR4
SCHEMBL9155196 0.80 S1PR1 (0.41) HTTNCF1L3MBTL1SPHK1S1PR4
SCHEMBL7024922 0.80 CHRM3 (0.38) HTTL3MBTL1
SCHEMBL14509625 0.79 ALOX15 (0.35) HTTNCF1SPHK1S1PR4S1PR1
SCHEMBL12039774 0.79 SLC7A5 (0.41) MAPTALDH1A1GAATSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 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-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HTT 310/4885MAPT 298/4885NCF1 3505/4885

“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.