SCHEMBL8931633

SCHEMBL8931633

COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.58
CHRNA4 P43681 4/20 0.58
MAPT P10636 7/20 0.51
GFER P55789 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
ADRA2C P18825 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
OGA O60502 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
RAD52 P43351 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6884588 0.83 CHRNB2 (0.61) CHRNB2CHRNA4MAPTGFERKDM4E
SCHEMBL24921493 0.82 CHRNB2 (0.60) CHRNB2CHRNA4MAPTKDM4EGAA
SCHEMBL5312452 0.81 CHRNB2 (0.72) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL21397330 0.79 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3OGA
SCHEMBL20148593 0.79 OGA (0.62) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL6888786 0.79 CHRNB2 (0.57) CHRNB2CHRNA4MAPTGFERKDM4E
SCHEMBL2617751 0.79 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3OGA
SCHEMBL31401416 0.79 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3OGA
SCHEMBL20723322 0.79 DHFR (0.72) DHFR
SCHEMBL22523820 0.78 MAPT (0.56) MAPTGFERKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 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 (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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 CHRNB2 48/4885CHRNA4 276/4885MAPT 16/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 CHRNB2 53/4885CHRNA4 294/4885MAPT 17/4885

“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.