SCHEMBL21555596

SCHEMBL21555596

CNCn1cc(CCCCC(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.40
HSP90AB1 P08238 2/20 0.37
HDAC1 Q13547 7/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FOLH1 Q04609 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
SCHEMBL23619333 0.95 CYP19A1 (0.38) CYP19A1HSP90AB1HDAC1HRH4HRH3
SCHEMBL20857563 0.83 CYP19A1 (0.36) CYP19A1HSP90AB1HDAC1HRH4HRH3
SCHEMBL21671069 0.83 GBA1 (0.44) CYP19A1HRH4HRH3FOLH1
SCHEMBL3435467 0.83 HRH4 (0.44) CYP19A1HSP90AB1HRH4HRH3L3MBTL1
SCHEMBL3435906 0.83 CYP19A1 (0.42) CYP19A1HSP90AB1HDAC1HRH4HRH3
SCHEMBL20364736 0.83 HRH4 (0.47) CYP19A1HSP90AB1HRH4HRH3FOLH1
SCHEMBL3435452 0.83 HRH4 (0.47) CYP19A1HSP90AB1HRH4HRH3FOLH1
SCHEMBL12278159 0.83 CYP19A1 (0.46) CYP19A1HSP90AB1HRH4HRH3L3MBTL1
SCHEMBL22794495 0.81 CYP19A1 (0.44) CYP19A1HSP90AB1HRH4HRH3L3MBTL1
SCHEMBL25468343 0.81 CYP19A1 (0.44) CYP19A1HSP90AB1HRH4HRH3L3MBTL1

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-10471120-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2019-11-12 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-10471120-B2 Peptidomimetic macrocycles and uses thereof TP53, TP53BP1, MDM2 CYP19A1 939/4885HSP90AB1 194/4885HDAC1 381/4885

“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.