SCHEMBL20804352

SCHEMBL20804352

COc1ccc(CN2CCN(Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.85
SMN1; SMN2 Q16637 2/20 0.76
PTGIR P43119 1/20 0.69
CHKA P35790 1/20 0.68
POLB P06746 2/20 0.62
PKM P14618 1/20 0.62
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL1043952 1.00 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL19285228 1.00 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1045386 0.94 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1043090 0.94 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL22642319 0.92 SIGMAR1 (0.74) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL12126812 0.92 CHKA (0.79) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL18234102 0.92 SIGMAR1 (0.74) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL3171551 0.92 PTGIR (0.81) SIGMAR1SMN1; SMN2PTGIRCHKAALDH1A1
SCHEMBL1045927 0.92 PTGIR (0.75) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL10502107 0.91 SIGMAR1 (0.72) SIGMAR1SMN1; SMN2PTGIRCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 SIGMAR1 2357/4885SMN1; SMN2 2668/4885PTGIR 2288/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 SIGMAR1 2357/4885SMN1; SMN2 2668/4885PTGIR 2288/4885

“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.