SCHEMBL20469661

SCHEMBL20469661

Cc1nnc([C@@H](c2ccccc2)N2CCN(C(=O)c3cccc(-c4nc5cc(C(F)(F)F)ccc5o4)c3)CC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.46
▸ CTSA P10619 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL23542112 1.00 MGLL (0.46) MGLLCTSAALDH1A1MEN1NPC1
SCHEMBL20469764 0.95 MGLL (0.41) MGLLCTSAALDH1A1MEN1NPC1
SCHEMBL20469671 0.91 MGLL (0.45) MGLLALDH1A1MEN1NPC1HPGD
SCHEMBL20469726 0.91 SCN5A (0.43) MGLLCTSAALDH1A1MEN1KMT2A
SCHEMBL20469662 0.90 ABL1 (0.41) MGLLCTSAALDH1A1MEN1KMT2A
SCHEMBL20469711 0.90 FASN (0.47) MGLLCTSAALDH1A1MEN1NPC1
SCHEMBL23542076 0.90 MGLL (0.45) MGLLALDH1A1MEN1NPC1HPGD
SCHEMBL20469857 0.90 MGLL (0.45) MGLLALDH1A1MEN1NPC1HPGD
SCHEMBL20469792 0.90 CETP (0.40) MGLLCTSAALDH1A1MEN1NPC1
SCHEMBL20469713 0.90 CETP (0.40) MGLLCTSAALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 — — US disclosed
WO-2018141854-A1 PIPERAZINE DERIVATIVES FOR INFLUENZA VIRUS INHIBITION JANSSEN VACCINES & PREVENTION B.V. (NL) 2018-08-09 — — WO 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-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS MGLL 2930/4885CTSA 73/4885ALDH1A1 631/4885

“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