SCHEMBL18375290

SCHEMBL18375290

Cc1ccc([C@H](C)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MGLL Q99685 2/20 0.49
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXA2R P21731 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
SCHEMBL18375511 0.88 ALDH1A1 (0.67) ALDH1A1MGLLGAAKMT2ASMN1; SMN2
SCHEMBL7257343 0.82 MGLL (0.57) ALDH1A1MGLLGAAKMT2ABCL9
SCHEMBL6984561 0.82 ALDH1A1 (0.54) ALDH1A1GAAKMT2ANPC1SMN1; SMN2
SCHEMBL6082739 0.80 KMT2A (0.47) ALDH1A1MGLLKMT2ANPC1RAB9A
SCHEMBL15663909 0.79 ALDH1A1 (0.51) ALDH1A1MGLLGAAKMT2ASMN1; SMN2
SCHEMBL29586254 0.79 ALDH1A1 (0.51) ALDH1A1MGLLGAAKMT2ANPC1
SCHEMBL29586658 0.79 ALDH1A1 (0.51) ALDH1A1MGLLGAAKMT2ANPC1
SCHEMBL15664050 0.79 ALDH1A1 (0.51) ALDH1A1MGLLGAAKMT2ABCL9
SCHEMBL29587030 0.79 GAA (0.49) ALDH1A1MGLLGAAKMT2ASMN1; SMN2
SCHEMBL13120799 0.79 MAPT (0.52) ALDH1A1MGLLACHEKMT2ABCL9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11484525-B2 Mu opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-01 US disclosed
EP-3319444-B1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2022-03-09 EP disclosed
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 (5 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-11484525-B2 Mu opioid receptor modulators OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MGLL 989/4885ACHE 552/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MGLL 989/4885ACHE 552/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MGLL 989/4885ACHE 552/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MGLL 989/4885ACHE 552/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MGLL 989/4885ACHE 552/4885

“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.