SCHEMBL1966204

SCHEMBL1966204

CCc1cc2c(N3CCc4[nH]ncc4C3)nc(OCC(O)CO)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
P2RY12 Q9H244 5/20 0.37
HRH4 Q9H3N8 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 5/20 0.33
OGA O60502 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KMT2A Q03164 3/20 0.33
S1PR1 P21453 1/20 0.33
TMIGD3 P0DMS9 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 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
SCHEMBL1966300 0.84 HTR6 (0.35) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1969160 0.80 HTR6 (0.39) HTR6P2RY12HRH4HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5268207 0.80 P2RY12 (0.45) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1972065 0.79 HTR6 (0.46) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1966907 0.77 P2RY12 (0.41) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1967925 0.76 P2RY12 (0.43) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1968293 0.76 P2RY12 (0.50) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1968135 0.75 P2RY12 (0.39) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL1970916 0.75 HTR6 (0.40) HTR6P2RY12HRH4HTTSMN1; SMN2
SCHEMBL12409652 0.75 P2RY12 (0.39) HTR6P2RY12HRH4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 HTR6 3031/4885P2RY12 127/4885HRH4 1240/4885

“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.