SCHEMBL22305183

SCHEMBL22305183

C(=C/c1ccccc1)\CCN1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.71
KDM1A O60341 2/20 0.45
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
LTA4H P09960 2/20 0.42
SLC6A4 P31645 2/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL10801224 0.88 SIGMAR1 (0.89) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22305179 0.88 SIGMAR1 (0.89) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1903555 0.84 SIGMAR1 (0.77) SIGMAR1TDP1CYP1A2CYP2D6CYP2C9
SCHEMBL20804637 0.84 DRD2 (0.54) SIGMAR1TDP1CYP1A2CYP2D6CYP2C9
SCHEMBL1151817 0.83 LMNA (0.58) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9779114 0.83 SIGMAR1 (0.75) SIGMAR1TDP1CYP1A2CYP2D6CYP2C9
SCHEMBL8091680 0.83 SIGMAR1 (1.00) SIGMAR1KDM1ACHRM2CHRM4CHRM5
SCHEMBL1151821 0.83 LMNA (0.58) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9530000 0.83 LMNA (0.58) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8084554 0.83 SIGMAR1 (1.00) SIGMAR1KDM1ACHRM2CHRM4CHRM5

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 2 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-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

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 2357/4885KDM1A 4867/4885CHRM2 4201/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 SIGMAR1 2357/4885KDM1A 4867/4885CHRM2 4201/4885

“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.