SCHEMBL23389209

SCHEMBL23389209

N[C@@H]1CCCN(C(=O)c2cc3cc(OC(F)(F)F)c(F)cc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ KDM1A O60341 3/20 0.39
▸ DRD3 P35462 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL23389212 1.00 KMT2A (0.47) KMT2AMEN1HRH3MAPTAKR1C3
SCHEMBL29944026 1.00 KMT2A (0.47) KMT2AMEN1HRH3MAPTAKR1C3
SCHEMBL23419132 0.86 FPR2 (0.42) KMT2AMEN1HRH3AKR1C3FPR2
SCHEMBL29943939 0.86 FPR2 (0.42) KMT2AMEN1HRH3AKR1C3FPR2
SCHEMBL23389122 0.86 FPR2 (0.42) KMT2AMEN1HRH3AKR1C3FPR2
SCHEMBL25991354 0.85 HRH4 (0.51) KMT2AMEN1HRH3AKR1C3DRD3
SCHEMBL23419189 0.83 FPR2 (0.55) KMT2AMEN1HRH3MAPTAKR1C3
SCHEMBL23389233 0.81 KMT2A (0.46) KMT2AMEN1HRH3MAPTHRH4
SCHEMBL23389232 0.81 KMT2A (0.46) KMT2AMEN1HRH3MAPTHRH4
SCHEMBL23389182 0.80 KMT2A (0.44) KMT2AMEN1HRH3MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF SHANGPHARMA INNOVATION INC. 2025-08-21 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — 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 (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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KMT2A 4587/4885MEN1 4223/4885HRH3 4241/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KMT2A 4587/4885MEN1 4223/4885HRH3 4241/4885

“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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