SCHEMBL14815855

SCHEMBL14815855

O=S(=O)(c1cccc(Cl)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRM1 P11229 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL15462497 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACHRM1MAPT
SCHEMBL15462509 0.91 CNR1 (0.39) ALDH1A1MEN1KMT2ALMNAAKR1C3
SCHEMBL14815794 0.91 CNR1 (0.39) ALDH1A1MEN1KMT2ALMNAAKR1C3
SCHEMBL15462432 0.89 GRM5 (0.38) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL14816018 0.89 GRM5 (0.38) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL14816183 0.89 SMN1; SMN2 (0.42) MEN1KMT2ACHRM1TSHRTP53
SCHEMBL15462539 0.89 SMN1; SMN2 (0.42) MEN1KMT2ACHRM1TSHRTP53
SCHEMBL15462417 0.89 MBTD1 (0.44) ALDH1A1MEN1KMT2ACHRM1AKR1C3
SCHEMBL14815958 0.89 MBTD1 (0.44) ALDH1A1MEN1KMT2ACHRM1AKR1C3
SCHEMBL14816193 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53LMNA

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 3 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
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 ALDH1A1 1439/4885MEN1 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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