SCHEMBL22190022

SCHEMBL22190022

NCC(N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
ARG1 P05089 2/20 0.57
ARG2 P78540 2/20 0.57
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
FDPS P14324 1/20 0.46
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MAPK1 P28482 1/20 0.41
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
AKR1B1 P15121 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL8351006 0.90 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL7653153 0.85 ARG1 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL7924236 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL366770 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL366771 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL2212930 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL12583604 0.82 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL22689266 0.82 ARG1 (0.79) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL6533420 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL11265744 0.82 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 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 (5 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885ARG1 815/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3171/4885HIF1A 2295/4885ARG1 990/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885ARG1 815/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885ARG1 815/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3181/4885HIF1A 1611/4885ARG1 838/4885

“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.