SCHEMBL21964548

SCHEMBL21964548

Cn1cc(N)c(OCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
ADCY10 Q96PN6 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
SYK P43405 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
GRM4 Q14833 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL22849597 0.82 SIGMAR1 (0.46) SIGMAR1ADCY10NPC1ALDH1A1KDM4E
SCHEMBL24158999 0.81 SIGMAR1 (0.47) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21570189 0.80 MEN1 (0.50) SIGMAR1NPC1ALDH1A1KDM4EMEN1
SCHEMBL21960997 0.80 SIGMAR1 (0.45) SIGMAR1NPC1ALDH1A1KDM4EMEN1
SCHEMBL21960999 0.79 SIGMAR1 (0.44) SIGMAR1NPC1ALDH1A1KDM4EMEN1
SCHEMBL21570271 0.76 SMN1; SMN2 (0.49) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14334527 0.74 GRM4 (0.53) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27087768 0.74 TSHR (0.40) SIGMAR1ALDH1A1KDM4ESYKTSHR
SCHEMBL31714258 0.73 LMNA (0.38) ALDH1A1LMNA
SCHEMBL5115745 0.73 PDPK1 (0.46) SIGMAR1ALDH1A1MEN1KMT2APOLB

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 SIGMAR1 3838/4885ADCY10 3732/4885NPC1 1362/4885

“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.