SCHEMBL18586607

SCHEMBL18586607

O=C1CC(c2ccc(Br)cc2)C(C(=O)O)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
FPR1 P21462 1/20 0.38
KDM1A O60341 5/20 0.37
KCNH2 Q12809 2/20 0.37
MAOB P27338 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
F2RL1 P55085 1/20 0.37
KDM1B Q8NB78 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
IDO1 P14902 2/20 0.36
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29585251 1.00 LMNA (0.50) LMNAGPBAR1CYP2C9CYP2C19CYP19A1
SCHEMBL20177486 0.79 F2RL1 (0.54) LMNACYP2C9CYP2C19POLBKDM1A
SCHEMBL18619448 0.79 MAPK1 (0.53) LMNAGPBAR1CYP2C9CYP2C19MAPT
SCHEMBL27415402 0.76 ALDH1A1 (0.46) LMNAGPBAR1CYP2C9CYP2C19POLB
SCHEMBL27415403 0.76 ALDH1A1 (0.46) LMNAGPBAR1CYP2C9CYP2C19POLB
SCHEMBL6041868 0.74 MMP13 (0.50) LMNAGPBAR1TP53MAPTKDM1A
SCHEMBL19167220 0.74 LMNA (0.46) LMNAGPBAR1CYP2C9CYP2C19CYP19A1
SCHEMBL1673541 0.69 LMNA (0.49) LMNAGPBAR1CYP2C9CYP2C19CYP19A1
SCHEMBL9812274 0.68 RECQL (0.54) ALDH1A1
SCHEMBL9812279 0.68 RECQL (0.54) ALDH1A1

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-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
US-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2020-07-23 US disclosed
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2019-07-04 US disclosed
US-10246436-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2019-04-02 US disclosed
EP-3344248-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2018-07-11 EP disclosed
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2017-07-27 US disclosed
WO-2017040545-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2017-03-09 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-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 LMNA 3950/4885GPBAR1 80/4885CYP2C9 641/4885
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 LMNA 3950/4885GPBAR1 80/4885CYP2C9 641/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 LMNA 3950/4885GPBAR1 80/4885CYP2C9 641/4885
US-10246436-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 LMNA 3950/4885GPBAR1 80/4885CYP2C9 641/4885
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 LMNA 3950/4885GPBAR1 80/4885CYP2C9 641/4885

“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.