SCHEMBL13166017

SCHEMBL13166017

CCC[C@@H](C)Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.58
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
LDHA P00338 1/20 0.50
IDO1 P14902 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB2 P07550 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
AGXT P21549 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL13166015 1.00 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL20172543 1.00 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL12427784 0.89 SLC6A4 (0.55) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28265222 0.86 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28296170 0.86 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13623704 0.84 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6017470 0.84 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13166045 0.83 NQO1 (0.52) TAS1R3TAS1R1
SCHEMBL18557398 0.83 HTT (0.56) SLC6A4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL13166039 0.83 NQO1 (0.52) TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 SLC6A4 642/4885CYP1A2 277/4885CYP2D6 658/4885

“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.