SCHEMBL21573595

SCHEMBL21573595

C=C(C(C)C)N1CCC(C(C)C)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16849112 0.80 ALDH1A1 (0.48) MEN1ALDH1A1KMT2A
SCHEMBL16849117 0.80 DPP4 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL681442 0.80 CPN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL16849118 0.79 EPHX2 (0.39)
SCHEMBL17995186 0.78 CCR2 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL13328190 0.78 GNAI3 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL18161032 0.77 GAA (0.33) ALDH1A1
SCHEMBL24928207 0.76 HPGD (0.33)
SCHEMBL13328193 0.75 EPHX2 (0.31)
SCHEMBL21431293 0.75 CCR2 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 EP 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-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MEN1 154/4885ALDH1A1 569/4885KMT2A 909/4885

“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.