SCHEMBL21960874

SCHEMBL21960874

Cc1cc(N)n(CC2CCCCO2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 17/20 0.49
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
PIK3CA P42336 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL21960368 0.96 PIK3CA (0.46) PDE8BPIK3CAEPHX2
SCHEMBL2812486 0.82 PDE8B (0.44) PDE8B
SCHEMBL21961347 0.80 L3MBTL1 (0.40) PIK3CA
SCHEMBL21960839 0.80 PDE8B (0.50) PDE8BHTR2AHTR2CSLC6A4EPHX2
SCHEMBL21964573 0.78 TSHR (0.44) PDE8BPIK3CAEPHX2
SCHEMBL21960381 0.78 TSHR (0.44) PDE8BPIK3CAEPHX2
SCHEMBL21964574 0.78 TSHR (0.44) PDE8BPIK3CAEPHX2
SCHEMBL21960857 0.78 SLC6A2 (0.39) PDE8B
SCHEMBL21961341 0.78 SLC6A2 (0.39) PDE8B
SCHEMBL21960856 0.78 SLC6A2 (0.39) PDE8B

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 PDE8B 3460/4885HTR2A 4746/4885HTR2C 4770/4885

“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.