SCHEMBL14815057

SCHEMBL14815057

O=C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CN2[C@@H](Oc3cnc(C4CC4)cn3)CC[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14815199 0.90 HSD11B1 (0.39) HSD11B1MGLLHPGDKCNH2ABL1
SCHEMBL14815458 0.84 GAA (0.41) HSD11B1GAATDP1MGLLCNR1
SCHEMBL14815371 0.74 RBP4 (0.44) HSD11B1MGLLHPGDKCNH2ABL1
SCHEMBL14815225 0.74 RBP4 (0.44) HSD11B1MGLLHPGDKCNH2ABL1
SCHEMBL14815461 0.73 LIPE (0.41) CNR1PRKAA2PIK3CA
SCHEMBL14814804 0.73 SCN9A (0.40) HSD11B1GAATDP1MEN1KMT2A
SCHEMBL14815210 0.72 LIPE (0.41) KCNH2PRKAA2PIK3CA
SCHEMBL14815202 0.72 JAK2 (0.36) HSD11B1CNR1EGLN1JAK2SMN1; SMN2
SCHEMBL14815447 0.72 DPP4 (0.36) HSD11B1
SCHEMBL14815222 0.72 P2RX7 (0.39) HSD11B1MGLLJAK2JAK1CYP3A4

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 HSD11B1 2566/4885GAA 4641/4885TDP1 3405/4885

“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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