SCHEMBL10552

SCHEMBL10552

CCC(C(N)=O)(c1ccccc1)c1cnc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
POLB P06746 2/20 0.48
PTPN11 Q06124 1/20 0.44
AOC3 Q16853 12/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL4030430 0.75 MAPT (0.55) OPRM1OPRD1LMNAHTT
Hydrochloric Acid SCHEMBL5252883 0.73 MAPT (0.53) OPRM1OPRD1LMNAHTT
SCHEMBL2202827 0.72 CHRM3 (0.47) OPRM1OPRD1LMNA
SCHEMBL8740951 0.72 SMN1; SMN2 (0.66) OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL19251168 0.71 POLB (0.47) POLBAOC3HSD17B10SMN1; SMN2
SCHEMBL18765532 0.70 OPRM1 (0.52) OPRM1OPRD1LMNAHTTSMN1; SMN2
SCHEMBL3607524 0.70 POLB (0.66) POLBPTPN11AOC3HTT
SCHEMBL9989231 0.70 CHRM3 (0.42) OPRM1OPRD1LMNAHTT
SCHEMBL10473259 0.69 MAPT (0.49) OPRM1OPRD1POLBLMNASMN1; SMN2
SCHEMBL2201632 0.69 KDM4E (0.43) OPRM1OPRD1LMNA

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT OPRM1 3549/4885OPRD1 2975/4885POLB 1774/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A OPRM1 4189/4885OPRD1 4337/4885POLB 2631/4885

“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.