SCHEMBL29554265

SCHEMBL29554265

CN1CCN(c2cccc(B(O)O)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.59
AGXT P21549 1/20 0.49
HTR3A P46098 1/20 0.49
PLOD2 O00469 1/20 0.45
PLOD3 O60568 1/20 0.45
PLOD1 Q02809 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
ENPP2 Q13822 2/20 0.44
HTR2C P28335 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
PTK2B Q14289 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2557935 1.00 ADRA2C (0.59) ADRA2CAGXTHTR3APLOD2PLOD3
SCHEMBL12266120 0.86 MGLL (0.50) HTR3AKDM4EALDH1A1ENPP2DRD3
SCHEMBL19492816 0.84 ENPP2 (0.48) ADRA2CAGXTKDM4EALDH1A1ENPP2
SCHEMBL488570 0.84 KDM4E (0.51) AGXTKDM4EALDH1A1ENPP2HTR6
SCHEMBL1529259 0.82 ALDH1A1 (0.50) AGXTKDM4EALDH1A1ENPP2GAA
Hydrochloric Acid SCHEMBL2379090 0.82 KDM4E (0.50) AGXTKDM4EALDH1A1ENPP2HTR6
Hydrochloric Acid SCHEMBL29957597 0.82 KDM4E (0.50) AGXTKDM4EALDH1A1ENPP2HTR6
SCHEMBL2552859 0.81 GFER (0.50) ALDH1A1HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL29955844 0.81 ALDH1A1 (0.49) AGXTKDM4EALDH1A1ENPP2GAA
SCHEMBL31467151 0.80 FAAH (0.49) KDM4EALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2022-04-19 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 (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-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer USP7, USP1, USP3 ADRA2C 2556/4885AGXT 2969/4885HTR3A 2716/4885

“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.