SCHEMBL23015486

SCHEMBL23015486

O=C(O[C@@H]1C[C@H]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
PTPN2 P17706 3/20 0.63
PTPN1 P18031 3/20 0.63
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 1/20 0.46
PTPN6 P29350 2/20 0.46
PTPN11 Q06124 2/20 0.46
CES1 P23141 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL17941239 0.91 POLB (0.60) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL8140569 0.90 PTPN2 (0.68) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL18460807 0.88 PTPN2 (0.70) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL29582017 0.86 PTPN2 (0.68) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL27400395 0.85 PTPN2 (0.70) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL3977630 0.84 POLB (0.90) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL3977633 0.84 POLB (0.90) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL20100945 0.84 PTPN2 (0.68) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL17941243 0.84 PTPN2 (0.68) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL13169514 0.84 PTPN2 (0.68) POLBPTPN2PTPN1CHRM2CHRM4

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-10927105-B1 Pyrazole MAGL inhibitors LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2021-02-23 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-10927105-B1 Pyrazole MAGL inhibitors MGLL, PNLIP, LPL POLB 2307/4885PTPN2 2403/4885PTPN1 1858/4885

“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.