SCHEMBL22828311

SCHEMBL22828311

C[C@H](C(=O)NCCCC[C@H](N)C(=O)O)N(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL22828310 0.83 CHRNB2 (0.36) DRD2DRD4SLC6A3DPP7GNAI3
SCHEMBL22828308 0.74 CHRNB2 (0.41) —
SCHEMBL22828318 0.73 KMT2A (0.34) LMNAKMT2APOLBMEN1
SCHEMBL22828314 0.73 TRPA1 (0.39) KMT2AMAPK1MEN1MAPTL3MBTL1
SCHEMBL22828137 0.71 DPP7 (0.36) DRD2DRD4SLC6A3DPP7GNAI3
SCHEMBL22689723 0.70 DPP7 (0.51) DPP7NOD1GNAI3GNAO1GNAI1
SCHEMBL20085606 0.70 DPP7 (0.54) DPP7NOD1GNAI3GNAO1GNAI1
SCHEMBL17451629 0.70 DPP7 (0.54) DPP7NOD1GNAI3GNAO1GNAI1
SCHEMBL20006611 0.70 DPP7 (0.54) DPP7NOD1GNAI3GNAO1GNAI1
SCHEMBL19738538 0.68 DPP7 (0.53) DPP7NOD1GNAI3GNAO1GNAI1

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-11377420-B2 Compositions and methods for making donor-acceptor azetines BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-05 — — US disclosed
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 — — 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-11377420-B2 Compositions and methods for making donor-acceptor azetines AZI2, AAAS, ZRANB2 DRD2 29/4885DRD4 100/4885FOLH1 3506/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 DRD2 29/4885DRD4 100/4885FOLH1 3506/4885

“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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