SCHEMBL5407009

SCHEMBL5407009

CC(C)[C@H](N)C(=O)NCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41

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
SCHEMBL5407015 1.00 RAB9A (0.49) RAB9ACA12CA1CA2CA9
SCHEMBL7298690 0.98 NPC1 (0.49) RAB9ACA12CA1CA2CA9
SCHEMBL29645969 0.89 CYP2C19 (0.47) ALDH1A1CYP2C19TSHRPOLB
SCHEMBL6138380 0.86 TSHR (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL1726101 0.86 TSHR (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL30392344 0.85 CA12 (0.51) RAB9ACA12CA1CA2CA9
SCHEMBL16451034 0.83 RAB9A (0.51) RAB9ACA12CA1CA2CA9
SCHEMBL9911466 0.82 RAB9A (0.54) RAB9ACA12CA1CA2CA9
SCHEMBL9497830 0.81 RAB9A (0.53) RAB9ACA12CA1CA2CA9
SCHEMBL3594497 0.81 CA12 (0.54) RAB9ACA12CA1CA2CA9

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 RAB9A 3075/4885CA12 4131/4885CA1 2561/4885

“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.