SCHEMBL20450596

SCHEMBL20450596

CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.46
CA14 Q9ULX7 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGM2 P21980 1/20 0.43
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL20467679 0.97 CCR6 (0.51) CCR6PAX8HTTMAPTCA14
SCHEMBL10647524 0.95 CCR6 (0.51) CCR6PAX8HTTMAPTCA14
SCHEMBL13426204 0.93 MAPT (0.51) CCR6PAX8HTTMAPTCA14
SCHEMBL20450598 0.91 HTT (0.46) CCR6PAX8HTTMAPTCA14
SCHEMBL4704081 0.90 CCR6 (0.60) CCR6PAX8HTTMAPTLMNA
SCHEMBL9772169 0.89 MAPT (0.55) CCR6PAX8HTTMAPTCA14
SCHEMBL3770984 0.88 HTT (0.59) CCR6PAX8HTTMAPTLMNA
SCHEMBL24198657 0.88 MAPT (0.52) HTTMAPTLMNASMN1; SMN2TGM2
SCHEMBL9766146 0.88 CCR6 (0.52) CCR6PAX8HTTMAPTCA14
SCHEMBL4793682 0.88 MAPT (0.52) CCR6PAX8HTTMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580232-B1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2023-09-20 EP disclosed
US-20220211812-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
US-11364281-B2 Modified relaxin polypeptides comprising a pharmacokinetic enhancer and pharmaceutical compositions thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-21 US disclosed
US-11224634-B2 2022-01-18 US disclosed
US-11185570-B2 Method of treating cardiovascular disease and heart failure with modified relaxin polypeptides BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-30 US disclosed
US-20210196791-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2021-07-01 US disclosed
US-20190256570-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-08-22 US disclosed
US-10266578-B2 Modified relaxin polypeptides comprising a pharmacokinetic enhancer and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-23 US disclosed
WO-2018148419-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-16 WO disclosed
US-20180222960-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 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 (8 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-20210196791-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CCR6 1003/4885PAX8 1219/4885HTT 3328/4885
US-20190256570-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CCR6 1003/4885PAX8 1219/4885HTT 3328/4885
US-20180222960-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CCR6 1003/4885PAX8 1219/4885HTT 3328/4885
US-11364281-B2 Modified relaxin polypeptides comprising a pharmacokinetic enhancer and pharmaceutical compositions thereof RXFP2, RXFP1, RXFP4 CCR6 879/4885PAX8 1361/4885HTT 3701/4885
US-20220211812-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CCR6 1003/4885PAX8 1219/4885HTT 3328/4885
US-11224634-B2 RXFP2, RXFP1, RXFP4 CCR6 1490/4885PAX8 1492/4885HTT 3221/4885
US-10266578-B2 Modified relaxin polypeptides comprising a pharmacokinetic enhancer and uses thereof RXFP2, RXFP1, RXFP4 CCR6 1003/4885PAX8 1219/4885HTT 3328/4885
US-11185570-B2 Method of treating cardiovascular disease and heart failure with modified relaxin polypeptides RXFP2, RXFP1, RXFP4 CCR6 827/4885PAX8 1582/4885HTT 2789/4885

“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.