SCHEMBL6743319

SCHEMBL6743319

CCCn1ncc2ccc(CC(=O)OC(C)(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.43
CACNA1H O95180 5/20 0.42
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 3/20 0.41
MCHR1 Q99705 1/20 0.40
PLA2G4A P47712 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
QPCT Q16769 1/20 0.38
BRD4 O60885 1/20 0.36

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
SCHEMBL17316500 0.86 CACNA1H (0.46) CACNA1HRIPK1RIPK3
SCHEMBL6739781 0.82 KMO (0.56) KMOCACNA1HMCHR1PLA2G4AHTR2A
SCHEMBL6743315 0.80 KMO (0.42) KMOCACNA1HRIPK1RIPK3
SCHEMBL17316718 0.78 CACNA1H (0.50) CACNA1HHTR2A
SCHEMBL19159359 0.75 HTR2A (0.45) KMOCACNA1HPLA2G4AHTR2AHTR2C
SCHEMBL28341759 0.75 MTNR1A (0.43) CACNA1HSLC16A3SLC16A1RIPK1RIPK3
SCHEMBL22506942 0.73 MTNR1A (0.48) RIPK1RIPK3
SCHEMBL18691035 0.72 CACNA1H (0.53) KMOCACNA1HPLA2G4A
SCHEMBL23055588 0.72 KMO (0.55) KMOPLA2G4AHTR2AHTR2CHTR2B
SCHEMBL24782853 0.72 KMO (0.45) KMOPLA2G4AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 KMO 453/4885CACNA1H 239/4885SLC16A3 1163/4885

“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.