SCHEMBL25991354

SCHEMBL25991354

O=C(c1cc2cc(OC(F)(F)F)c(F)cc2[nH]1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 6/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ AKR1C3 P42330 1/20 0.40

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
SCHEMBL23389209 0.85 KMT2A (0.47) HRH4HRH3NPC1RAB9AKMT2A
SCHEMBL23389212 0.85 KMT2A (0.47) HRH4HRH3NPC1RAB9AKMT2A
SCHEMBL29944026 0.85 KMT2A (0.47) HRH4HRH3NPC1RAB9AKMT2A
SCHEMBL23389122 0.81 FPR2 (0.42) HRH4HRH3KMT2ADRD3ABCB1
SCHEMBL29943939 0.81 FPR2 (0.42) HRH4HRH3KMT2ADRD3ABCB1
SCHEMBL23419132 0.81 FPR2 (0.42) HRH4HRH3KMT2ADRD3ABCB1
SCHEMBL30068484 0.79 EIF4A3 (0.50) KMT2A
SCHEMBL23389139 0.79 EIF4A3 (0.50) KMT2A
SCHEMBL23389233 0.78 KMT2A (0.46) HRH4HRH3KMT2AMEN1
SCHEMBL23389232 0.78 KMT2A (0.46) HRH4HRH3KMT2AMEN1

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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 (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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 HRH4 4568/4885HRH3 4241/4885NPC1 537/4885

“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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