SCHEMBL283458

SCHEMBL283458

CC(C)(C)C(O)CN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
MAOB P27338 1/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL16576732 0.98 KMT2A (0.56) KMT2AMEN1MAPTATMHTT
SCHEMBL3971520 0.90 KMT2A (0.47) KMT2AMEN1MAPTATMHTT
SCHEMBL24856095 0.82 TSHR (0.42) KMT2AMEN1MAPTHTTTSHR
SCHEMBL18389888 0.82 GAA (0.46) KMT2AMEN1MAPTHTTTSHR
SCHEMBL22430404 0.80 SMN1; SMN2 (0.47) KMT2AMEN1MAPTHTTTSHR
SCHEMBL16838047 0.80 USP2 (0.59) KMT2AMEN1ATMTSHRL3MBTL1
SCHEMBL10102876 0.80 KMT2A (0.40) KMT2AMEN1MAPTATMHTT
SCHEMBL21933968 0.80 KMT2A (0.40) KMT2AMEN1MAPTATMHTT
SCHEMBL8392868 0.80 SMN1; SMN2 (0.47) KMT2AMEN1MAPTHTTTSHR
SCHEMBL18704908 0.79 SIGMAR1 (0.43) KMT2AMEN1MAPTATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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 (3 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KMT2A 2998/4885MEN1 2912/4885MAPT 3688/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KMT2A 2998/4885MEN1 2912/4885MAPT 3688/4885
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA KMT2A 2727/4885MEN1 761/4885MAPT 1484/4885

“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.