SCHEMBL2483038

SCHEMBL2483038

O=C(O)N1CC=C(N2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
AKR1C3 P42330 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
KMO O15229 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 1/20 0.34
PHGDH O43175 1/20 0.34

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
SCHEMBL3771855 0.85 SMN1; SMN2 (0.47) AKR1C3POLBHPGDMAPTLMNA
SCHEMBL3077693 0.84 ALDH1A1 (0.33) HPGDTSHRMEN1GAAMAPT
SCHEMBL14784250 0.79 SMN1; SMN2 (0.45) AKR1C3HPGDTSHRMEN1USP2
SCHEMBL797983 0.78 USP2 (0.55) MEN1USP2MAPTKMT2ALMNA
SCHEMBL22324916 0.77 HPGD (0.45) CYP2C9CYP2C19AKR1C3HPGDKMO
SCHEMBL1968116 0.74 SMN1; SMN2 (0.59) POLBTSHRMEN1USP2MAPT
SCHEMBL27971433 0.72 ALDH1A1 (0.39) CYP2C19POLBTSHRMAPTKMT2A
SCHEMBL27971436 0.72 KMT2A (0.36) CYP2C19POLBTSHRMEN1USP2
SCHEMBL1967895 0.72 KDM4E (0.37) MEN1USP2MAPTKMT2ALMNA
SCHEMBL10263391 0.71 LMNA (0.58) CYP2C9CYP2C19AKR1C3POLBKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
CN-102272133-A Modulators of amyloid beta 2011-12-07 CN disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 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 (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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CYP2C9 1601/4885CYP2C19 1442/4885AKR1C3 1452/4885
US-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 CYP2C9 4848/4885CYP2C19 4627/4885AKR1C3 3719/4885

“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.