SCHEMBL20569072

SCHEMBL20569072

N=C1NCCN1CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
DAO P14920 1/20 0.45

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
SCHEMBL24709289 0.86 SMN1; SMN2 (0.50) SIGMAR1CYP1A2CYP2D6TMEM97
Bromide SCHEMBL31141380 0.85 SMN1; SMN2 (0.49) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL20572266 0.77 SMN1; SMN2 (0.51)
SCHEMBL6663737 0.76 SLC6A3 (0.46) SIGMAR1CYP1A2CYP2D6
SCHEMBL20569188 0.75 TAAR1 (0.42) SIGMAR1
SCHEMBL20569164 0.75 SLC6A3 (0.54) SIGMAR1DAO
SCHEMBL24709610 0.73 ALDH1A1 (0.46) SIGMAR1
SCHEMBL11730441 0.72 MAPT (0.65) SIGMAR1CYP1A2CYP2D6
SCHEMBL2291008 0.72 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97
Bromide SCHEMBL31141392 0.71 ALDH1A1 (0.45) SIGMAR1

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-20200179361-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT TORREY PINES INST FOR MOLECULAR STUDIES (US) 2020-06-11 US disclosed
WO-2018217631-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2018-11-29 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 (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-20200179361-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT CHRNA4, CHRNA5, CHRNB4 SIGMAR1 236/4885CYP1A2 2302/4885CYP2D6 2997/4885

“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.