SCHEMBL23050993

SCHEMBL23050993

CN(C)c1ccc2c(c1)OCC=C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.45
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
APP P05067 2/20 0.33
TERT O14746 1/20 0.33
CYP2B6 P20813 1/20 0.31
P2RX4 Q99571 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6917419 0.76 STS (0.49) STSALDH1A1HSD17B10CYP2B6CYP1A2
SCHEMBL276961 0.72 STS (0.53) STSCYP2B6CYP1A2CYP1B1
SCHEMBL29274342 0.72 STS (0.49) STSTSHRCYP2B6CYP1A2CYP1B1
SCHEMBL30065900 0.72 STS (0.53) STSALDH1A1CYP2B6CYP1A2CYP1B1
SCHEMBL2011444 0.72 STS (0.49) STSCYP2B6CYP1A2CYP1B1
SCHEMBL5537604 0.72 STS (0.49) STSCYP2B6CYP1A2CYP1B1
SCHEMBL547263 0.72 STS (0.49) STSAPPCYP2B6
SCHEMBL4150416 0.72 STS (0.49) STSCYP2B6CYP1A2CYP1B1
SCHEMBL10426769 0.72 STS (0.53) STSALDH1A1CYP2B6CYP1A2CYP1B1
SCHEMBL29771885 0.72 STS (0.49) STSAPPCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225487-B2 7-membered aza-heterocyclic containing δ-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2022-01-18 US disclosed
US-20210061812-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC. 2021-03-04 US 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 (2 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-11225487-B2 7-membered aza-heterocyclic containing δ-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 STS 4630/4885ALDH1A1 854/4885TSHR 495/4885
US-20210061812-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 STS 4640/4885ALDH1A1 894/4885TSHR 498/4885

“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.