SCHEMBL30846658

SCHEMBL30846658

CC(C(=O)Nc1ccc2ncc(F)cc2c1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 12/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TDO2 P48775 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL30846704 0.84 ALDH1A1 (0.46) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL30846693 0.81 NPC1 (0.58) CYP3A4MEN1LMNAHTR1EHTT
SCHEMBL30846653 0.77 NPC1 (0.55) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL30846616 0.76 NPC1 (0.57) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL30846657 0.75 PRMT3 (0.56) —
SCHEMBL17740940 0.72 IDO1 (0.52) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL17740942 0.72 IDO1 (0.52) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL17747174 0.72 IDO1 (0.52) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL17762920 0.72 IDO1 (0.52) IDO1CYP2C9TDO2CYP3A4CYP2C8
SCHEMBL17762841 0.72 IDO1 (0.52) IDO1CYP2C9TDO2CYP3A4CYP2C8

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-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 — — 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-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 IDO1 3060/4885CYP2C9 4240/4885TDO2 2986/4885

“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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