SCHEMBL1177889

SCHEMBL1177889

c1ccc2c(c1)nnn2C[C@H]1COCCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
SLC9A1 P19634 8/20 0.44
GRM2 Q14416 2/20 0.42
TDO2 P48775 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRL1 P41146 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1177265 0.76 TDP1 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL2475745 0.76 TDP1 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL14578738 0.74 CYP2D6 (0.55) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL4288610 0.72 GAA (0.47) SLC9A1GRM2NPC1MAPTRAB9A
SCHEMBL10625058 0.71 TDO2 (0.59) SLC9A1GRM2TDO2NPC1MAPT
SCHEMBL10002325 0.70 GRM2 (0.58) CYP2D6SLC9A1GRM2TDO2NPC1
SCHEMBL730354 0.69 SLC9A1 (0.66) CYP2D6SLC9A1GRM2NPC1MAPT
SCHEMBL10606015 0.69 TDO2 (0.60) CYP2D6SLC9A1GRM2TDO2NPC1
SCHEMBL13240370 0.68 GRM2 (0.60) SLC9A1GRM2TDO2NPC1MAPT
SCHEMBL29479909 0.67 SLC9A1 (0.67) CYP2D6SLC9A1GRM2NPC1MAPT

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
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 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-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 CYP2D6 2006/4885SLC9A1 4737/4885GRM2 636/4885

“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.