SCHEMBL3043124

SCHEMBL3043124

NC1CC(C(CC2CC2)NC(=O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
P2RX7 Q99572 2/20 0.43
CTSL P07711 1/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A9 P48067 5/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A12 P48065 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
SCHEMBL4644071 1.00 KDM4E (0.48) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL4643554 1.00 KDM4E (0.48) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL3049316 0.87 NPC1 (0.48) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL3061380 0.84 NPC1 (0.47) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL4643557 0.81 KDM4E (0.47) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL3053102 0.80 SLC6A9 (0.48) NPC1RAB9APOLBTHRBRECQL
SCHEMBL4721249 0.79 SLC6A9 (0.56) KDM4EMAPTNPC1RAB9ACTSL
SCHEMBL3055700 0.71 SLC6A9 (0.59) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL13585912 0.71 POLB (0.53) KDM4EMAPTNPC1RAB9AP2RX7
SCHEMBL14476426 0.71 POLB (0.50) KDM4EMAPTNPC1RAB9AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
EP-1960360-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-08-27 EP disclosed
WO-2007060484-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-05-31 WO 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 KDM4E 3744/4885MAPT 1250/4885NPC1 115/4885

“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.