SCHEMBL14844417

SCHEMBL14844417

CC(C)NCCC[C@H](N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.50
OTC P00480 1/20 0.49
NOS2 P35228 4/20 0.46
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
CYP1A2 P05177 3/20 0.44
TSHR P16473 2/20 0.44
NOD1 Q9Y239 1/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
SLC7A5 Q01650 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43

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
SCHEMBL18741586 1.00 GSR (0.50) GSROTCNOS2NOS3NOS1
SCHEMBL8709636 1.00 GSR (0.50) GSROTCNOS2NOS3NOS1
SCHEMBL3727819 0.94 GSR (0.53) GSROTCNOS2NOS3NOS1
SCHEMBL1932144 0.94 GSR (0.53) GSROTCNOS2NOS3NOS1
SCHEMBL457067 0.94 GSR (0.53) GSROTCNOS2NOS3NOS1
SCHEMBL25406097 0.88 SLC1A3 (0.46) GSRKMT2ACYP1A2SLC7A5GRM8
SCHEMBL2236943 0.88 SLC1A3 (0.46) GSRKMT2ACYP1A2SLC7A5GRM8
SCHEMBL2236935 0.88 SLC1A3 (0.46) GSRKMT2ACYP1A2SLC7A5GRM8
Hydrochloric Acid SCHEMBL29176246 0.86 GSR (0.48) GSROTCNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL30839685 0.86 GSR (0.48) GSROTCNOS2NOS3NOS1

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068346-A1 PHARMACEUTICAL COMBINATION OF CXCR4, PD-1 AND FAK INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO claimed
WO-2025068348-A1 PHARMACEUTICAL COMBINATION OF CXCR4 AND PD-1 INHIBITORS FOR TREATING CANCER SPEXIS AG (CH) 2025-04-03 WO claimed
US-20240336654-A1 ANTIMICROBIAL PEPTIDOMIMETICS Universität Zürich (CH) 2024-10-10 US claimed
US-20240228555-A9 ANTIMICROBIAL PEPTIDOMIMETICS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-07-11 US claimed
EP-4380689-A1 ANTIMICROBIAL PEPTIDOMIMETICS Basilea Pharmaceutica International AG, Allschwil (CH) 2024-06-12 EP claimed
CN-118043339-A Antimicrobial peptidomimetics 巴斯利尔药物阿尔施维尔国际股份公司 2024-05-14 CN claimed
US-20240132553-A1 ANTIMICROBIAL PEPTIDOMIMETICS SPEXIS AG (CH) 2024-04-25 US claimed
US-11883501-B2 Selective CXCR4 binding peptide conjugate and methods for making and using the same MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2024-01-30 US claimed
US-20240009266-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PEPTIDE CXCR4 INHIBITOR AND A TAXANE FOR TREATING CANCER SPEXIS AG (CH) 2024-01-11 US claimed
US-11771736-B2 Composition comprising a therapeutic agent and a CXCR4 selective antagonist and methods for using the same MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-10-03 US claimed
EP-4214220-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 EP claimed
CN-115989236-A Antimicrobial peptidomimetics 斯派西斯公司 2023-04-18 CN claimed
WO-2023012319-A1 ANTIMICROBIAL PEPTIDOMIMETICS SPEXIS AG (CH) 2023-02-09 WO claimed
WO-2023285677-A1 PHARMACEUTICAL COMBINATIONS FOR TREATING CANCER SPEXIS AG (CH) 2023-01-19 WO claimed
WO-2023285681-A1 PHARMACEUTICAL COMBINATIONS FOR TREATING CANCER SPEXIS AG (CH) 2023-01-19 WO claimed
EP-4097120-A1 ISOTOPICALLY LABELLED SELECTIVE CXCR4 BINDING PEPTIDE CONJUGATE AND METHODS FOR MAKING AND USING THE SAME Mainline Biosciences LLC (US) 2022-12-07 EP claimed
WO-2022184320-A2 MEDICAL USE OF CYCLIC PEPTIDES SPEXIS AG (CH) 2022-09-09 WO claimed
WO-2022106061-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PEPTIDE CXCR4 INHIBITOR AND A TAXANE FOR TREATING CANCER POLYPHOR AG (CH) 2022-05-27 WO claimed
EP-4000613-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PEPTIDE CXCR4 INHIBITOR AND A TAXANE FOR TREATING CANCER Polyphor Ag (CH) 2022-05-25 EP claimed
WO-2022028737-A1 ANTIMICROBIAL PEPTIDOMIMETICS POLYPHOR AG (CH) 2022-02-10 WO claimed

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-11883501-B2 Selective CXCR4 binding peptide conjugate and methods for making and using the same CXCR4, CXCR1, ACKR3 GSR 4865/4885OTC 4860/4885NOS2 4371/4885
US-11771736-B2 Composition comprising a therapeutic agent and a CXCR4 selective antagonist and methods for using the same CXCR4, CXCR3, CXCR1 GSR 4169/4885OTC 4675/4885NOS2 4065/4885
US-20240009266-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PEPTIDE CXCR4 INHIBITOR AND A TAXANE FOR TREATING CANCER CXCR4, CXCL12, CXCR1 GSR 4449/4885OTC 4696/4885NOS2 4186/4885

“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.