SCHEMBL10110705

SCHEMBL10110705

CCCCOc1ccc(CCCCN)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
HTR1B P28222 2/20 0.46
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
SLC6A4 P31645 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR8 Q9NR97 5/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 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
SCHEMBL25776518 0.89 SLC2A1 (0.58) SLC2A1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL28769919 0.89 SLC2A1 (0.57) SLC2A1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL19248497 0.84 TLR8 (0.50) CNR2SLC6A4TLR8
SCHEMBL14950166 0.81 SLC2A1 (0.62) SLC2A1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL9770405 0.80 CNR1 (0.59) SLC2A1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL29502701 0.80 CNR1 (0.59) SLC2A1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL24782977 0.80 SLC2A1 (0.48) SLC2A1CYP2C9CNR1CNR2TDP1
SCHEMBL14614385 0.80 SLC2A1 (0.47) SLC2A1CYP2C9CNR1CNR2SMN1; SMN2
SCHEMBL17537736 0.79 MAOA (0.54) HTR1BCYP1A2SLC6A4TLR8
SCHEMBL11918710 0.78 CNR1 (0.49) SLC2A1HTR1BCYP2C9CNR1CNR2

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
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 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 (2 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 SLC2A1 1218/4885HTR1B 219/4885CYP2C9 254/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC2A1 2461/4885HTR1B 301/4885CYP2C9 970/4885

“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.