SCHEMBL21964567

SCHEMBL21964567

COC(=O)CN1CCC(Cn2nc(C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 4/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL21960972 0.85 MAP3K14 (0.40) L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL21960896 0.82 PIK3CD (0.39) ALDH1A1MAPTCYP2D6CYP2C19SIGMAR1
SCHEMBL21960838 0.82 ALDH1A1 (0.39) ALDH1A1CRHR1P2RX3MEN1TSHR
SCHEMBL21960916 0.80 ACHE (0.39) ALDH1A1CRHR1HTTSIGMAR1SMN1; SMN2
SCHEMBL21961433 0.80 MAP3K14 (0.36) ALDH1A1CRHR1MAPTCYP2C19SIGMAR1
SCHEMBL21961429 0.79 MAP3K14 (0.37) ALDH1A1CRHR1SIGMAR1
SCHEMBL21960895 0.77 MAPT (0.42) ALDH1A1MAPT
SCHEMBL21960380 0.75 BRD4 (0.36) CRHR1SMN1; SMN2
SCHEMBL21960386 0.73 MAP3K14 (0.37) POLBALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL21960387 0.72 BRD4 (0.37) HTTSIGMAR1

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 POLB 1088/4885ALDH1A1 3872/4885RECQL 3899/4885

“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.