SCHEMBL21964565

SCHEMBL21964565

O=[N+]([O-])c1cc(Cl)nn1CCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
DRD2 P14416 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL21960928 0.82 ACHE (0.36) ACHE
SCHEMBL21964581 0.79 SMN1; SMN2 (0.35) ACHE
SCHEMBL23880197 0.78 OPRM1 (0.35) ACHEDRD2
SCHEMBL21960917 0.78 ACHE (0.39) ACHE
SCHEMBL21961379 0.77 ADRA1A (0.41) ACHEDRD2
SCHEMBL21960375 0.77 ADRA1A (0.41) ACHEDRD2
SCHEMBL21964585 0.76 SRC (0.37) DRD2
SCHEMBL21964580 0.75 BRD4 (0.40) DRD2
SCHEMBL21960873 0.75 KMT2A (0.35) DRD2
SCHEMBL28435272 0.74 ALDH1A1 (0.39)

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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE ACHE 4704/4885DRD2 4703/4885CACNA1I 4838/4885

“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.