SCHEMBL21961340

SCHEMBL21961340

CC(C)Oc1nn(CCN2CCOCC2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
MAP3K14 Q99558 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 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
SCHEMBL27087768 0.86 TSHR (0.40) CNR2ALDH1A1KDM4ECYP1A2CHRM2
SCHEMBL21964578 0.79 KMT2A (0.44) S1PR1MEN1KMT2ACNR2ALDH1A1
SCHEMBL22648259 0.77 CNR2 (0.38) CNR2MAPK1HDAC3HDAC1HDAC2
SCHEMBL21960865 0.71 MAP3K14 (0.33) MAP3K14
SCHEMBL22648417 0.70 MAPT (0.43) ALDH1A1KDM4ECYP1A2CHRM2CHRM1
SCHEMBL24752355 0.70 MAP3K5 (0.32)
SCHEMBL21964548 0.69 SIGMAR1 (0.47) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL24752005 0.69 ADORA2A (0.33) ALDH1A1KDM4E
SCHEMBL24752093 0.69 MAP3K12 (0.36) ALDH1A1
SCHEMBL21266800 0.67 POLB (0.40) CNR2

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 S1PR1 2651/4885MAP3K14 4/4885MEN1 2801/4885

“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.