SCHEMBL9891824

SCHEMBL9891824

CC1(C)CC(=O)C=C(N2CCCC2C(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
BRCA1 P38398 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 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
SCHEMBL16480458 0.81 MAPT (0.57) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL9891823 0.78 MAPT (0.47) MAPTALDH1A1LMNAKMT2ASRD5A1
SCHEMBL9893007 0.77 MAPT (0.53) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL23229431 0.70 MAPT (1.00) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL24415299 0.70 MAPT (0.93) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL12869178 0.69 ALDH1A1 (1.00) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL5970126 0.68 MAPT (0.96) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL24415315 0.67 ALDH1A1 (0.72) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL15448164 0.67 ALDH1A1 (0.77) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL10724563 0.66 ALDH1A1 (1.00) MAPTHPGDALDH1A1TSHRLMNA

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPT 4057/4885HPGD 601/4885ALDH1A1 3279/4885

“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.