SCHEMBL28414366

SCHEMBL28414366

O=C1CCN([C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.52
SIGMAR1 Q99720 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTR1A P08908 2/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
ADRA2C P18825 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL29138124 0.90 SMN1; SMN2 (0.56) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL22765331 0.88 TMEM97 (0.57) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL3678408 0.88 TMEM97 (0.57) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL28412948 0.87 SMN1; SMN2 (0.53) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL28412743 0.87 SMN1; SMN2 (0.53) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL30668752 0.87 SMN1; SMN2 (0.53) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL1930828 0.85 SMN1; SMN2 (0.64) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL5103812 0.84 CHRM1 (0.61) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL30773875 0.84 SMN1; SMN2 (0.61) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL14529819 0.84 SMN1; SMN2 (0.61) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A

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
CN-111278840-B Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer 癌症研究科技有限公司 2023-11-17 CN disclosed
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
CN-111278840-A Pyrrolo [2, 3-B ] pyridine compounds and their use for treating cancer 癌症研究科技有限公司 2020-06-12 CN 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 TMEM97 4635/4885SIGMAR1 4644/4885SMN1; SMN2 2979/4885

“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.