SCHEMBL14815868

SCHEMBL14815868

O=S(=O)(c1cc(Cl)ccc1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ DRD2 P14416 4/20 0.35
▸ ADRA1D P25100 4/20 0.35
▸ ADRA1A P35348 4/20 0.35
▸ ADRA1B P35368 4/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ PROKR1 Q8TCW9 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MMP1 P03956 1/20 0.33

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
SCHEMBL15462453 1.00 ALOX5AP (0.36) ALOX5APFEN1CNR1CNR2TRPV4
SCHEMBL15462456 0.94 ALDH1A1 (0.40) ALOX5APFEN1CNR1CNR2TRPV4
SCHEMBL14816109 0.94 ALDH1A1 (0.40) ALOX5APFEN1CNR1CNR2TRPV4
SCHEMBL15462466 0.92 TSHR (0.43) CNR1TSHRHTTNPSR1POLB
SCHEMBL14815945 0.92 PKM (0.40) ALOX5APFEN1AKR1C3TSHRPOLB
SCHEMBL14815747 0.92 TSHR (0.43) CNR1TSHRHTTNPSR1POLB
SCHEMBL14815835 0.90 ALOX5AP (0.36) ALOX5APFEN1TSHR
SCHEMBL15462498 0.90 ALOX5AP (0.36) ALOX5APFEN1TSHR
SCHEMBL15462481 0.90 TRPV4 (0.40) CNR1TRPV4TSHRHTTNPSR1
SCHEMBL14815836 0.90 TRPV4 (0.40) CNR1TRPV4TSHRHTTNPSR1

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 ALOX5AP 649/4885FEN1 4851/4885CNR1 279/4885

“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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