SCHEMBL14815397

SCHEMBL14815397

C=C(C)c1cnc(O[C@@H]2C[C@H]3CN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CCN3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ F13A1 P00488 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
SCHEMBL15462437 1.00 KDM4E (0.39) KDM4EMEN1KMT2ATRPV4SCN3A
SCHEMBL15462525 0.90 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL14815763 0.90 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL14816208 0.86 KDM4E (0.47) KDM4EMEN1KMT2ATRPV4SCN3A
SCHEMBL15462451 0.86 KDM4E (0.47) KDM4EMEN1KMT2ATRPV4SCN3A
SCHEMBL14816155 0.85 SMYD3 (0.33) KDM4ESCN3AALDH1A1SCN9A
SCHEMBL15462510 0.85 SMYD3 (0.33) KDM4ESCN3AALDH1A1SCN9A
SCHEMBL15462478 0.84 KDM4E (0.40) KDM4EMEN1KMT2ATRPV4SCN3A
SCHEMBL14815822 0.84 KDM4E (0.40) KDM4EMEN1KMT2ATRPV4SCN3A
SCHEMBL15462463 0.84 OPRM1 (0.35) KDM4EMEN1KMT2ASCN3AALDH1A1

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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
WO-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A KDM4E 3640/4885MEN1 1999/4885KMT2A 1876/4885

“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.

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