SCHEMBL354223

SCHEMBL354223

Oc1ccc2c(c1)CN[C]C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
DRD4 P21917 3/20 0.37
DRD1 P21728 4/20 0.36
DRD3 P35462 4/20 0.35
DRD5 P21918 3/20 0.35
OPRK1 P41145 1/20 0.34
PBRM1 Q86U86 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
HSD17B1 P14061 1/20 0.33
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7646302 0.92 DRD2 (0.37) DRD2DRD4DRD1DRD3DRD5
SCHEMBL37705 0.72 PNMT (0.39) HSD17B10
SCHEMBL329946 0.72 DRD2 (0.46) DRD2DRD4DRD1DRD3DRD5
SCHEMBL30015222 0.72 DRD2 (0.46) DRD2DRD4DRD1DRD3DRD5
Hydrochloric Acid SCHEMBL3772707 0.70 DRD2 (0.44) DRD2DRD4DRD1DRD3DRD5
Bromide SCHEMBL383952 0.70 DRD2 (0.44) DRD2DRD4DRD1DRD3DRD5
SCHEMBL470826 0.65 PNMT (0.66) DRD2DRD4DRD1DRD3DRD5
SCHEMBL354222 0.65 DRD2 (0.38) DRD2DRD4DRD1DRD3DRD5
SCHEMBL4502622 0.65 DRD2 (0.36) DRD2DRD4DRD1DRD3DRD5
SCHEMBL7651931 0.64 CHRNB2 (0.37) DRD2DRD4DRD3OPRK1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA DRD2 4140/4885DRD4 3396/4885DRD1 3712/4885

“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.