SCHEMBL14816012

SCHEMBL14816012

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@@H](O)C[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ EPHX2 P34913 3/20 0.43
▸ HSD11B1 P28845 3/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL14816153 1.00 TRPV4 (0.50) TRPV4MEN1KMT2AALDH1A1GAA
SCHEMBL14833786 0.86 HTT (0.53) KMT2AALDH1A1GAAKDM4EHSD11B1
SCHEMBL14816151 0.86 HTT (0.53) KMT2AALDH1A1GAAKDM4EHSD11B1
SCHEMBL14816030 0.86 HTT (0.53) KMT2AALDH1A1GAAKDM4EHSD11B1
SCHEMBL14816198 0.83 CNR1 (0.42) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL14815870 0.82 TSHR (0.40) MEN1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL14815765 0.82 ALDH1A1 (0.42) TRPV4MEN1KMT2AALDH1A1EPHX2
SCHEMBL14816014 0.82 TSHR (0.55) MEN1KMT2AALDH1A1KDM4EHSD11B1
SCHEMBL14815389 0.78 TRPV4 (0.53) TRPV4MEN1KMT2AALDH1A1GAA
SCHEMBL15462451 0.77 KDM4E (0.47) TRPV4MEN1KMT2AALDH1A1GAA

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US 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 TRPV4 75/4885MEN1 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.

Send feedback