SCHEMBL3878786

SCHEMBL3878786

CC(C)NC(=O)N1CCC(c2nc3c(s2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
PDE4B Q07343 1/20 0.32
GRM5 P41594 1/20 0.32
JAK2 O60674 1/20 0.32
TP53 P04637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL3878666 0.89 ACACB (0.35) HRH3L3MBTL1GRM5
SCHEMBL3884853 0.84 L3MBTL3 (0.34) ALDH1A1LMNAL3MBTL1GRM5TP53
SCHEMBL3880598 0.83 GRM5 (0.37) ALDH1A1KMT2AHRH3L3MBTL1SMN1; SMN2
SCHEMBL3878937 0.82 MAPT (0.45) ALDH1A1EPHX2KMT2ALMNACYP2D6
SCHEMBL3878790 0.82 EPHX2 (0.36) EPHX2KMT2ACYP2C19PKMSMN1; SMN2
SCHEMBL3883227 0.81 GRM5 (0.33) ALDH1A1HRH3L3MBTL1SMN1; SMN2GRM5
SCHEMBL3879523 0.81 FAAH (0.48) KMT2ALMNAPKMSMN1; SMN2TP53
SCHEMBL3879929 0.80 HRH3 (0.41) HRH3
SCHEMBL3882073 0.80 HRH3 (0.45) ALDH1A1KMT2AHRH3L3MBTL1PKM
SCHEMBL3880257 0.79 NPSR1 (0.49) ALDH1A1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 ALDH1A1 1866/4885EPHX2 499/4885KMT2A 364/4885

“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.