SCHEMBL14815870

SCHEMBL14815870

O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCN2C[C@H](O)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD11B1 P28845 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL14816014 0.88 TSHR (0.55) TSHRSMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL14816012 0.82 TRPV4 (0.50) HSD11B1MEN1KMT2ALMNAALDH1A1
SCHEMBL14816153 0.82 TRPV4 (0.50) HSD11B1MEN1KMT2ALMNAALDH1A1
SCHEMBL14833786 0.81 HTT (0.53) SMN1; SMN2HSD11B1KMT2ALMNAPKM
SCHEMBL14816151 0.81 HTT (0.53) SMN1; SMN2HSD11B1KMT2ALMNAPKM
SCHEMBL14816030 0.81 HTT (0.53) SMN1; SMN2HSD11B1KMT2ALMNAPKM
SCHEMBL14815765 0.80 ALDH1A1 (0.42) TSHRMEN1KMT2ALMNAPOLB
SCHEMBL14816198 0.79 CNR1 (0.42) —
SCHEMBL14815825 0.78 CNR1 (0.49) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14815539 0.75 SCN3A (0.40) TSHRSMN1; SMN2HSD11B1MEN1KMT2A

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 TSHR 1272/4885SMN1; SMN2 1986/4885HSD11B1 3627/4885

“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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