SCHEMBL6770056

SCHEMBL6770056

CCOC(=O)C1CC(c2cccc(C(F)(F)F)c2)c2c(Cl)cc(Cl)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GUSB P08236 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6769674 0.88
SCHEMBL6770378 0.88 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6766580 0.86 MEN1 (0.44) KMT2A
SCHEMBL6775620 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6946320 0.85 ALDH1A1 (0.40) PBRM1ALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL6765947 0.83
SCHEMBL6766840 0.83 MEN1 (0.38) KMT2A
SCHEMBL6770317 0.82
SCHEMBL6766792 0.82
SCHEMBL6771596 0.82 MMP13 (0.41)

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-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C PBRM1 2720/4885ALDH1A1 454/4885CACNA1F 103/4885

“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.