SCHEMBL2615604

SCHEMBL2615604

[C-]#[N+]c1ccc2c(c1)C(C)(C)CC(c1ccccc1NS(C)(=O)=O)N2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ADRA2A P08913 1/20 0.31

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
SCHEMBL2615621 0.89 — —
SCHEMBL2615620 0.89 MCOLN2 (0.34) —
SCHEMBL2135562 0.85 KDM4E (0.34) F11F7CDK1CDK2IRAK4
SCHEMBL2615622 0.84 SLC40A1 (0.39) JAK2
SCHEMBL2134874 0.84 HTT (0.37) TRPV1F11F7CDK1CDK2
SCHEMBL2135831 0.82 TRPV1 (0.38) TRPV1
SCHEMBL2135919 0.82 PARP14 (0.38) F11F7CDK1CDK2IRAK4
SCHEMBL2133143 0.74 MRGPRX1 (0.39) ADRA2A
SCHEMBL2135133 0.74 METAP2 (0.42) —
SCHEMBL2136301 0.73 ERBB2 (0.43) —

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-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 TRPV1 2308/4885F11 4766/4885F7 4761/4885

“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.

Send feedback