SCHEMBL18375355

SCHEMBL18375355

CCC(Cc1ccsc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ BCL9 O00512 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MME P08473 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL29408485 0.87 MEN1 (0.49) MGLLBCL9CTNNB1OPRM1OPRD1
SCHEMBL20804967 0.87 MEN1 (0.49) MGLLBCL9CTNNB1OPRM1OPRD1
SCHEMBL18375274 0.87 MEN1 (0.49) MGLLBCL9CTNNB1OPRM1OPRD1
SCHEMBL8403807 0.83 MGLL (0.60) MGLLCYP1A2BCL9CTNNB1ALDH1A1
SCHEMBL14996322 0.77 MGLL (0.63) MGLLCYP1A2BCL9CTNNB1ALDH1A1
SCHEMBL18375247 0.76 MGLL (0.58) MGLLBCL9CTNNB1ALDH1A1GAA
SCHEMBL18375248 0.76 MGLL (0.46) MGLLCYP1A2BCL9CTNNB1OPRM1
SCHEMBL20791650 0.73 OPRM1 (0.54) OPRM1OPRD1OPRK1MME
SCHEMBL7310246 0.72 HTR2A (0.60) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL10201890 0.72 MGLL (0.55) MGLLCYP1A2BCL9CTNNB1ALDH1A1

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
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-2018129393-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 — — WO 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 MGLL 989/4885CYP1A2 797/4885BCL9 4744/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 MGLL 989/4885CYP1A2 797/4885BCL9 4744/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 MGLL 989/4885CYP1A2 797/4885BCL9 4744/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 MGLL 989/4885CYP1A2 797/4885BCL9 4744/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 MGLL 989/4885CYP1A2 797/4885BCL9 4744/4885

“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.

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