SCHEMBL3225501

SCHEMBL3225501

[CH2]C(CC(C)C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.37
▸ AOC3 Q16853 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ CTSL P07711 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL56346 0.77 TAAR1 (0.43) AOC3TRPA1
SCHEMBL9880972 0.77 CACNA1B (0.39) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL16232202 0.77 CACNA1B (0.39) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL8017502 0.77 AOC3 (0.38) AOC3HTTIDO1TDO2
SCHEMBL6100251 0.77 CACNA1B (0.45) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL21503471 0.77 CACNA1B (0.39) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL13995158 0.74 MAOA (0.42) CACNA1BAOC3HTTIDO1TDO2
SCHEMBL16673700 0.74 AOC3 (0.53) CACNA1BAOC3HTTCTSLTRPA1
SCHEMBL14737295 0.74 IDO1 (0.42) AOC3HTTIDO1TDO2MAOA
SCHEMBL1005314 0.74 IDO1 (0.42) AOC3HTTIDO1TDO2MAOA

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-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 — — 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CACNA1B 1314/4885AOC3 660/4885HTT 3328/4885

“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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