SCHEMBL14007239

SCHEMBL14007239

Nc1cccc(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)s2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.63
TAS1R1 Q7RTX1 8/20 0.63
CNR1 P21554 3/20 0.57
CNR2 P34972 2/20 0.57
TAS1R2 Q8TE23 7/20 0.55
HTT P42858 1/20 0.53
PRSS12 P56730 1/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL14007246 1.00 TAS1R3 (0.63) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL14007238 0.94 TAS1R3 (0.54) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL4919682 0.87 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL4928246 0.87 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL5000133 0.81 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL4929201 0.80 TAS1R3 (0.51) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL4201276 0.78 TAS1R3 (1.00) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL5000368 0.75 AKT3 (0.54) TAS1R3TAS1R1CNR1CNR2
SCHEMBL7990888 0.71 CNR1 (0.60) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL10527008 0.71 HTT (0.80) TAS1R3TAS1R1TAS1R2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN TAS1R3 3465/4885TAS1R1 3059/4885CNR1 1457/4885

“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.