SCHEMBL3880911

SCHEMBL3880911

Cn1cncc1C(=O)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC9A1 P19634 1/20 0.41
PIK3CD O00329 3/20 0.36
PIK3CA P42336 2/20 0.36
CYP11B1 P15538 1/20 0.36
UBE2M P61081 9/20 0.32
DCUN1D1 Q96GG9 9/20 0.32
F10 P00742 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL3880595 0.85 HDAC6 (0.39) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3878461 0.83 RBP4 (0.44) RBP4CYP3A4CYP2C9CYP2C19SLC9A1
SCHEMBL3879091 0.82 UBE2M (0.41) CYP3A4CYP2C9CYP2C19SLC9A1UBE2M
SCHEMBL3881507 0.82 GRM5 (0.35) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3878476 0.82 RBP4 (0.43) RBP4PIK3CDPIK3CAUBE2MDCUN1D1
SCHEMBL3879404 0.81 UBE2M (0.39) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3884855 0.81 GRM5 (0.32) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3882385 0.81 UBE2M (0.43) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3880547 0.81 UBE2M (0.34) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3885757 0.81 GRM5 (0.37) UBE2MDCUN1D1LMNAMEN1MAPT

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
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

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 RBP4 3396/4885CYP3A4 2320/4885CYP2C9 3356/4885

“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.