SCHEMBL20744455

SCHEMBL20744455

CN1CC[C@H]2CCN(C(=O)O)C[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.46
KMT5A Q9NQR1 1/20 0.36
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
CHRM2 P08172 3/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31
RIPK1 Q13546 1/20 0.30
PPP5C P53041 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
SCHEMBL9790975 0.89 KMT5A (0.42) L3MBTL3KMT5AHRH3ALDH1A1CHRM2
SCHEMBL20744221 0.87 L3MBTL3 (0.45) L3MBTL3KMT5AGNAI3GNAO1GNAI1
SCHEMBL19596383 0.79 TEAD1 (0.47) L3MBTL3JAK1JAK3
SCHEMBL32681842 0.78 DPP7 (0.35) L3MBTL3
SCHEMBL20744928 0.78 DPP7 (0.35) L3MBTL3
SCHEMBL15948708 0.77 CHRNB2 (0.47) L3MBTL3KMT5AHRH3JAK1JAK3
SCHEMBL25628871 0.77 L3MBTL3 (0.39) L3MBTL3KMT5AHRH3JAK3
SCHEMBL12505797 0.76 KMT5A (0.41) L3MBTL3KMT5AHRH3JAK1JAK3
SCHEMBL29678691 0.75 HSD11B1 (0.40) L3MBTL3JAK1CHRM2MEN1CYP2D6
SCHEMBL9345094 0.73 CHRNB2 (0.51) L3MBTL3KMT5AJAK1CHRM1

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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 US disclosed
EP-3668882-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2020-06-24 EP disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 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 (1 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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB L3MBTL3 4377/4885KMT5A 1390/4885GNAI3 1903/4885

“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.