SCHEMBL18375680

SCHEMBL18375680

CN(C)[C@@H](Cc1ccc2c(c1)OC(C)(C)O2)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
KIF11 P52732 1/20 0.36
TSHR P16473 2/20 0.34
PTPN1 P18031 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRB2 P07550 3/20 0.34
ADRB3 P13945 3/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL20370038 1.00 ALOX15 (0.51) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL20369400 0.84 ALOX15 (0.36) ALOX15ALOX12CYP2C19CYP2D6HIF1A
SCHEMBL18375360 0.84 ALOX15 (0.36) ALOX15ALOX12CYP2C19CYP2D6HIF1A
SCHEMBL20369609 0.82 ALOX15 (0.55) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL18375516 0.82 ALOX15 (0.55) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL28572334 0.80 TAAR1 (0.56) CYP2C19SMN1; SMN2CYP1A2CYP2D6TAAR1
SCHEMBL20791672 0.76 ALOX15 (0.49) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL20791671 0.76 ALOX15 (0.49) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL20369816 0.76 ALOX15 (0.55) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2
SCHEMBL18375210 0.76 ALOX15 (0.55) ALOX15ALOX12CYP2C19SMN1; SMN2CYP1A2

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 12 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-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-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-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
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 ALOX15 724/4885ALOX12 649/4885CYP2C19 1246/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 ALOX15 724/4885ALOX12 649/4885CYP2C19 1246/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALOX15 724/4885ALOX12 649/4885CYP2C19 1246/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALOX15 724/4885ALOX12 649/4885CYP2C19 1246/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALOX15 724/4885ALOX12 649/4885CYP2C19 1246/4885

“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.