SCHEMBL19750751

SCHEMBL19750751

CC(C)(C)c1ccc2ccnc(CC(C)(C)c3ccc4ncccc4c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 5/20 0.37
POLB P06746 3/20 0.37
RAB9A P51151 3/20 0.37
TRPV1 Q8NER1 2/20 0.36
CYP3A4 P08684 1/20 0.36
METAP2 P50579 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL264293 0.79 ALDH1A1 (0.58) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL22617566 0.78 ALDH1A1 (0.40) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL26315520 0.77 ALDH1A1 (0.39) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL20932780 0.77 ALDH1A1 (0.39) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL10285521 0.76 ALDH1A1 (0.51) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL21497380 0.73 GNRHR (0.41) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL24904290 0.73 MAPT (0.38) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL26033494 0.72 ALDH1A1 (0.47) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL25992706 0.70 NPC1 (0.41) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL420840 0.70 ALDH1A1 (0.58) MAPTALDH1A1ATMHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC 2021-03-04 US disclosed
US-9849119-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2017-12-26 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 MAPT 1244/4885ALDH1A1 807/4885ATM 4844/4885
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 MAPT 1180/4885ALDH1A1 929/4885ATM 4830/4885

“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.