SCHEMBL21955417

SCHEMBL21955417

CC(C)CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ POLB P06746 4/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ ATM Q13315 1/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL21959077 0.93 MAPT (0.51) KMT2AMEN1KDM4ECYP2C9CYP2C19
SCHEMBL21955418 0.84 MAPT (0.58) KMT2AKDM4ECYP2C19RAB9APOLB
SCHEMBL23544870 0.84 KDM4E (0.56) KDM4ECYP2C9CYP2C19RAB9APOLB
SCHEMBL2767991 0.82 ME2 (0.58) KMT2AKDM4ECYP2C9CYP2C19RAB9A
SCHEMBL25443711 0.82 POLB (0.55) KMT2AMEN1KDM4ECYP2C9CYP2C19
SCHEMBL21876102 0.81 CKS1B (0.49) KMT2AMEN1POLBMAPTDGAT1
SCHEMBL14444869 0.81 KDM4E (0.75) KMT2AMEN1KDM4ECYP2C9CYP2C19
SCHEMBL2766451 0.79 POLB (0.67) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL16510493 0.74 DGAT1 (0.42) KMT2AMEN1KDM4ECYP2C9CYP2C19
SCHEMBL30862669 0.74 MAPT (0.54) KMT2AMEN1KDM4ECYP2C9CYP2C19

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
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-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 (3 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885KDM4E 4848/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885KDM4E 4848/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885KDM4E 4848/4885

“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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