SCHEMBL16488742

SCHEMBL16488742

COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C(C)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.49
▸ CTSB P07858 1/20 0.49
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ACE P12821 6/20 0.41
▸ REN P00797 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20993822 0.88 CAPN1 (0.53) CAPN1CTSBACERENKDM4E
SCHEMBL17229184 0.87 CAPN1 (0.62) CAPN1CTSBACERENKDM4E
SCHEMBL17229178 0.87 CAPN1 (0.50) CAPN1CTSBACERENKDM4E
SCHEMBL16488741 0.87 CAPN1 (0.62) CAPN1CTSBACERENKDM4E
SCHEMBL16489904 0.87 CAPN1 (0.52) CAPN1CTSBACERENKDM4E
SCHEMBL14682329 0.85 CAPN1 (0.45) CAPN1CTSBITGB1ITGA4ACE
SCHEMBL18760227 0.84 CAPN1 (0.43) CAPN1CTSBITGB1ITGA4ACE
SCHEMBL1584468 0.82 ITGB1 (0.49) CAPN1CTSBITGB1ITGA4
SCHEMBL16489897 0.79 CAPN1 (0.47) CAPN1CTSBACERENKDM4E
SCHEMBL14673021 0.79 REN (0.52) ACERENACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2015-02-19 — — 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 (1 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-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885ITGB1 3271/4885

“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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