SCHEMBL22828137

SCHEMBL22828137

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.36
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33

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 0.88 CHRNB2 (0.36) DPP7GNAI3GNAO1GNAI1MEN1
SCHEMBL22828141 0.81 CHRNB2 (0.40) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL22828282 0.77 ALDH1A1 (0.40) LMNAKMT2ACA12CA1CA2
SCHEMBL22828143 0.76 UTS2R (0.42) LMNACA12CA1CA2CA9
SCHEMBL22828289 0.75 ALDH1A1 (0.38) MEN1KMT2AHTTHSD17B10ALDH1A1
SCHEMBL22828283 0.74 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22828287 0.74 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL22828288 0.72 L3MBTL1 (0.44) KMT2AHSD17B10ALDH1A1
SCHEMBL22828311 0.71 DRD2 (0.38) DPP7GNAI3GNAO1GNAI1MEN1
SCHEMBL22828122 0.70 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HSD17B10

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 DPP7 2469/4885GNAI3 4046/4885GNAO1 4550/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 DPP7 2469/4885GNAI3 4046/4885GNAO1 4550/4885

“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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