SCHEMBL21845122

SCHEMBL21845122

C=C(CN)COc1ccc2c(c1)CCCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 15/20 0.54
▸ MAOB P27338 15/20 0.54
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HRH3 Q9Y5N1 3/20 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
SCHEMBL7520647 0.80 ALOX15 (0.68) MAOAMAOBALOX15TSHRHSD17B10
SCHEMBL21845116 0.79 PARP11 (0.47) —
SCHEMBL21845054 0.78 AOC3 (0.49) —
SCHEMBL21845102 0.77 AOC3 (0.70) MAOAMAOB
SCHEMBL7399814 0.76 MAOB (0.57) MAOAMAOBALOX15TSHRHSD17B10
SCHEMBL17703887 0.74 MAOB (0.67) MAOAMAOBHRH3
SCHEMBL13532003 0.74 MAOB (0.66) MAOAMAOBHRH3
SCHEMBL31711410 0.74 HSD17B10 (0.62) MAOAMAOBALOX15TSHRHSD17B10
SCHEMBL6825249 0.74 MAOB (0.66) MAOAMAOBHRH3
SCHEMBL7389120 0.74 HSD17B10 (0.62) MAOAMAOBALOX15TSHRHSD17B10

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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 — — 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 MAOA 25/4885MAOB 60/4885ALOX15 446/4885

“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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