SCHEMBL4133149

SCHEMBL4133149

CC(C)(C)OC(=O)CCN1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 4/20 0.33
SIGMAR1 Q99720 2/20 0.33
NR3C1 P04150 1/20 0.33
KCNA3 P22001 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3885320 0.90 HTR4 (0.38) SMN1; SMN2DRD2SIGMAR1NR3C1
SCHEMBL25036777 0.85 SMN1; SMN2 (0.36) CNR1SMN1; SMN2SCN9ASCN10APLA2G10
SCHEMBL7347272 0.83 PLA2G10 (0.42) CNR1SCN9ASCN10APLA2G10PLA2G5
SCHEMBL12014400 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL1880519 0.81 ALDH1A1 (0.34) CNR1SCN9ASCN10APLA2G10PLA2G5
SCHEMBL12014399 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL1128504 0.81 TP53 (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRTP53
SCHEMBL6429098 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ETSHRTP53
SCHEMBL17420838 0.80 SMN1; SMN2 (0.41) CNR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL327358 0.78 SMN1; SMN2 (0.37) CNR1SMN1; SMN2ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC 2025-10-02 US disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed
US-5773442-A EXHIBIT GPIIB/IIIA RECEPTOR ANTAGONISTIC ACTIVITY; USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF VASCULAR SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0810215-A1 NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-03 EP 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 (2 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A CNR1 235/4885SMN1; SMN2 4328/4885SCN9A 2325/4885
US-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS PTPN1, PTPN2, PTPN18 CNR1 3981/4885SMN1; SMN2 4056/4885SCN9A 4275/4885

“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.