SCHEMBL14816014

SCHEMBL14816014

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ POLB P06746 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ HSD11B1 P28845 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL14815870 0.88 TSHR (0.40) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14815974 0.82 TSHR (0.52) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15462404 0.82 TSHR (0.52) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14816153 0.82 TRPV4 (0.50) MEN1KMT2ALMNAHSD11B1ALDH1A1
SCHEMBL14816012 0.82 TRPV4 (0.50) MEN1KMT2ALMNAHSD11B1ALDH1A1
SCHEMBL14816030 0.80 HTT (0.53) SMN1; SMN2KMT2ALMNAHSD11B1ALDH1A1
SCHEMBL14816151 0.80 HTT (0.53) SMN1; SMN2KMT2ALMNAHSD11B1ALDH1A1
SCHEMBL14833786 0.80 HTT (0.53) SMN1; SMN2KMT2ALMNAHSD11B1ALDH1A1
SCHEMBL10144134 0.76 POLB (0.67) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14816198 0.76 CNR1 (0.42) —

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 1986/4885MEN1 1999/4885

“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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