SCHEMBL22190041

SCHEMBL22190041

NCC(c1ccccc1)[C@@H](N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
TAAR1 Q96RJ0 2/20 0.53
CYP2D6 P10635 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
SLC1A2 P43004 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
HTR2A P28223 1/20 0.46
SRC P12931 1/20 0.45
DPP4 P27487 2/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL5291382 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3TAAR1CYP2D6
SCHEMBL14842376 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3TAAR1CYP2D6
SCHEMBL7653146 0.85 HRH1 (0.50) SLC6A2SLC6A4SLC6A3TAAR1CYP2D6
SCHEMBL5565838 0.83 CYP2D6 (0.46) SLC6A2SLC6A4SLC6A3TAAR1CYP2D6
SCHEMBL497439 0.82 CYP2D6 (0.49) TAAR1CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL22338831 0.82 CYP2D6 (0.49) TAAR1CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL497730 0.82 CYP2C19 (0.72) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL1162118 0.82 CYP2D6 (0.49) TAAR1CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL497729 0.82 CYP2C19 (0.72) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5292778 0.81 SLC1A3 (0.62) CYP2D6MEN1CYP2C9CYP2C19KMT2A

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 SLC6A2 4789/4885SLC6A4 4432/4885SLC6A3 4797/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 SLC6A2 4739/4885SLC6A4 4549/4885SLC6A3 4802/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SLC6A2 4789/4885SLC6A4 4432/4885SLC6A3 4797/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SLC6A2 4789/4885SLC6A4 4432/4885SLC6A3 4797/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 SLC6A2 4788/4885SLC6A4 4440/4885SLC6A3 4811/4885

“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.