SCHEMBL21954703

SCHEMBL21954703

CCC(C)Cn1cc(CN(Cc2cn(CC(C)C)nn2)Cc2cn(CC(C)C)nn2)nn1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 6/20 0.40
▸ CYP19A1 P11511 1/20 0.31
▸ MAOB P27338 1/20 0.30

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
SCHEMBL22434648 0.91 HSP90AB1 (0.46) HSP90AB1CYP19A1MAOB
SCHEMBL21954710 0.85 HSP90AB1 (0.44) HSP90AB1CYP19A1MAOB
SCHEMBL22404387 0.85 HSP90AB1 (0.44) HSP90AB1CYP19A1MAOB
SCHEMBL28683976 0.78 HSP90AB1 (0.45) HSP90AB1
SCHEMBL14230307 0.77 CYP19A1 (0.38) CYP19A1
SCHEMBL20615467 0.75 POLB (0.41) CYP19A1
SCHEMBL22351908 0.75 HSP90AB1 (0.50) HSP90AB1CYP19A1MAOB
SCHEMBL10299506 0.74 CYP19A1 (0.54) CYP19A1
SCHEMBL18618632 0.74 CYP19A1 (0.54) CYP19A1
SCHEMBL25109460 0.74 CYP19A1 (0.44) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 — — US disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 — — US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 — — US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 — — 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 (4 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID HSP90AB1 2791/4885CYP19A1 2220/4885MAOB 4000/4885
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID HSP90AB1 2791/4885CYP19A1 2220/4885MAOB 4000/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID HSP90AB1 2791/4885CYP19A1 2220/4885MAOB 4000/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID HSP90AB1 2791/4885CYP19A1 2220/4885MAOB 4000/4885

“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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