SCHEMBL14815325

SCHEMBL14815325

O=C(N[C@@H]1CC[C@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CN21)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.59
▸ CCR2 P41597 6/20 0.49
▸ HSD11B1 P28845 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RHOC P08134 3/20 0.46
▸ RHOA P61586 3/20 0.46
▸ RBP4 P02753 1/20 0.46

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
SCHEMBL14815284 0.96 MGLL (0.56) MGLLCCR2HSD11B1SMN1; SMN2MEN1
SCHEMBL14814826 0.92 HSD11B1 (0.58) MGLLCCR2HSD11B1SMN1; SMN2MEN1
SCHEMBL14815178 0.90 MGLL (0.56) MGLLHSD11B1MEN1KMT2AHPGD
SCHEMBL14815463 0.88 HSD11B1 (0.56) MGLLCCR2HSD11B1MEN1KMT2A
SCHEMBL14815309 0.84 MEN1 (0.47) CCR2HSD11B1MEN1KMT2ARBP4
SCHEMBL14815442 0.83 MGLL (0.52) MGLLHSD11B1SMN1; SMN2LMNAPOLB
SCHEMBL14815226 0.81 HSD11B1 (0.56) MGLLHSD11B1MEN1KMT2APOLB
SCHEMBL14815248 0.78 CACNA1B (0.49) HSD11B1SMN1; SMN2POLBHPGD
SCHEMBL14815455 0.77 MGLL (0.49) MGLLMEN1KMT2ARHOCRHOA
SCHEMBL14814764 0.75 MGLL (0.51) MGLLHSD11B1SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D MGLL 4703/4885CCR2 2651/4885HSD11B1 2566/4885

“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.

Send feedback