SCHEMBL9892991

SCHEMBL9892991

CCC(C)CN1CCCC1CC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 3/20 0.36
MAPK1 P28482 1/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ATM Q13315 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
SCHEMBL25769664 0.84 TSHR (0.40) HTTL3MBTL1SLC6A9MAPK1TSHR
SCHEMBL25663994 0.84 TSHR (0.40) HTTL3MBTL1SLC6A9MAPK1TSHR
SCHEMBL13839006 0.84 TSHR (0.40) HTTL3MBTL1SLC6A9MAPK1TSHR
SCHEMBL11911612 0.82 HDAC8 (0.42) HTTL3MBTL1HRH3
SCHEMBL12426921 0.82 HDAC8 (0.42) HTTL3MBTL1HRH3
SCHEMBL12059256 0.81 HTT (0.38) HTTL3MBTL1MAPK1TSHRALDH1A1
SCHEMBL24503573 0.81 L3MBTL1 (0.36) HTTL3MBTL1SLC6A9MAPK1TSHR
SCHEMBL16480438 0.78 LMNA (0.41) HRH3
SCHEMBL17207528 0.78 TSHR (0.45) SLC6A9MAPK1TSHRTDP1ALDH1A1
SCHEMBL24308456 0.78 MEN1 (0.39) HTTL3MBTL1SLC6A9MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 HTT 310/4885L3MBTL1 3622/4885SLC6A9 224/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HTT 3335/4885L3MBTL1 4514/4885SLC6A9 4434/4885

“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.