SCHEMBL25455181

SCHEMBL25455181

C#CCCCC(=O)N1CCOc2cc(N(CCC#N)C(=O)CC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEM1B Q9UK73 3/20 0.47
▸ FNIP1 Q8TF40 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30132893 0.91 FEM1B (0.59) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23804984 0.91 FEM1B (0.59) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23818422 0.85 FEM1B (0.60) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23818554 0.79 FEM1B (0.55) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23817939 0.78 FEM1B (0.52) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23818490 0.78 FNIP1 (0.53) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23818590 0.77 FEM1B (0.59) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL25171623 0.76 FEM1B (0.68) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23817933 0.74 FEM1B (0.48) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19
SCHEMBL23818489 0.74 FNIP1 (0.49) FEM1BFNIP1ALDH1A1CYP3A4CYP2C19

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-20230148299-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 — — 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-20230148299-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF FEM1B, GSKIP, FNIP1 FEM1B 1/4885FNIP1 3/4885ALDH1A1 4563/4885

“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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