SCHEMBL14815209

SCHEMBL14815209

O=C(N[C@H]1C[C@H]2CN(C(=O)O)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 4/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CTSC P53634 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ SLC6A12 P48065 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ OPRK1 P41145 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL14815270 0.84 L3MBTL3 (0.56) L3MBTL3L3MBTL1KMT2ACTSBCTSS
SCHEMBL14833250 0.84 L3MBTL3 (0.56) L3MBTL3L3MBTL1KMT2ACTSBCTSS
SCHEMBL14814597 0.80 SLC6A12 (0.46) L3MBTL3L3MBTL1KMT2ACTSBCTSS
SCHEMBL14833341 0.80 SLC6A12 (0.46) L3MBTL3L3MBTL1KMT2ACTSBCTSS
SCHEMBL14815282 0.79 HSD11B1 (0.53) L3MBTL3L3MBTL1KMT2APOLBMEN1
SCHEMBL14833207 0.79 HSD11B1 (0.53) L3MBTL3L3MBTL1KMT2APOLBMEN1
SCHEMBL14833216 0.77 CCR2 (0.54) L3MBTL3L3MBTL1KMT2APOLBMEN1
SCHEMBL14815069 0.77 CCR2 (0.54) L3MBTL3L3MBTL1KMT2APOLBMEN1
SCHEMBL12337034 0.74 CHRM1 (0.62) CTSBCTSSCTSKCTSCNPC1
SCHEMBL14815072 0.74 L3MBTL3 (0.55) L3MBTL3L3MBTL1KMT2ASIGMAR1SLC6A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
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
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES 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 (2 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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D L3MBTL3 2198/4885L3MBTL1 2030/4885KMT2A 2999/4885
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A L3MBTL3 3225/4885L3MBTL1 2446/4885KMT2A 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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