SCHEMBL6003408

SCHEMBL6003408

CCn1ccc(CCn2cccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
DAO P14920 1/20 0.35
THRB P10828 2/20 0.35
KCNH2 Q12809 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL22251891 0.77 KCNH2 (0.36) TSHRKCNH2NOS3NOS1GAA
SCHEMBL21945129 0.76 KCNH2 (0.37) TSHRKCNH2MAPTALDH1A1CYP1A2
SCHEMBL20464448 0.73 ALDH1A1 (0.37) TSHRKCNH2MAPTALDH1A1CYP1A2
SCHEMBL24618609 0.73 KCNH2 (0.38) TSHRKCNH2MAPTALDH1A1CYP1A2
SCHEMBL294058 0.73 KCNH2 (0.35) TSHRKCNH2GAAMAPTALDH1A1
SCHEMBL27710988 0.72 KCNH2 (0.46) KCNH2
Bromide SCHEMBL28241981 0.72 ALDH1A1 (0.36) TSHRKCNH2MAPTALDH1A1CYP1A2
SCHEMBL10680 0.71
SCHEMBL21321921 0.70 GAA (0.42) TSHRDAOTHRBNOS3NOS1
SCHEMBL8664135 0.70 KCNH2 (0.48) KCNH2

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-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 TSHR 761/4885DAO 3427/4885THRB 1182/4885

“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.