SCHEMBL18375356

SCHEMBL18375356

C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MGLL Q99685 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SSTR4 P31391 1/20 0.44
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PDE2A O00408 1/20 0.43

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
SCHEMBL29408478 1.00 ALDH1A1 (0.46) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL29586959 0.83 ALDH1A1 (0.47) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL29586022 0.83 ALDH1A1 (0.47) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL10527016 0.83 NPC1 (0.55) LMNAGAAMEN1KMT2APDE2A
SCHEMBL10527020 0.83 NPC1 (0.55) LMNAGAAMEN1KMT2APDE2A
SCHEMBL29586536 0.81 MGLL (0.41) ALDH1A1GAAMEN1KMT2AMGLL
SCHEMBL29586414 0.81 HTT (0.44) ALDH1A1LMNAGAAMGLLMAPT
SCHEMBL18375511 0.80 ALDH1A1 (0.67) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL29587337 0.80 MGLL (0.43) ALDH1A1GAAMEN1KMT2AMGLL
SCHEMBL29586105 0.79 GAA (0.47) ALDH1A1LMNAGAAMEN1KMT2A

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-20210052548-A1 MU OPIOID RECEPTOR MODULATORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 US disclosed
US-10702498-B2 MU opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-07 US disclosed
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2020-04-09 US disclosed
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-03-14 US disclosed
WO-2017007695-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-12 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 (4 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-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885LMNA 4469/4885GAA 4614/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885LMNA 4469/4885GAA 4614/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885LMNA 4469/4885GAA 4614/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885LMNA 4469/4885GAA 4614/4885

“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.