SCHEMBL22358043

SCHEMBL22358043

COCCCCC(=O)N1CCN(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
S1PR1 P21453 12/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20116162 0.87 TBK1 (0.37) MAPTSMN1; SMN2S1PR1LMNAMAPK1
SCHEMBL20116074 0.86 PIK3CA (0.37) MAPTHTTS1PR1LMNA
SCHEMBL22358046 0.85 HDAC1 (0.38) MAPTSMN1; SMN2HTTS1PR1LMNA
SCHEMBL20117088 0.84 TBK1 (0.35) MAPTSMN1; SMN2S1PR1LMNAMAPK1
SCHEMBL20116161 0.84 TBK1 (0.39) MAPTSMN1; SMN2HTTS1PR1LMNA
SCHEMBL20116169 0.83 S1PR1 (0.35) S1PR1
SCHEMBL20116144 0.83 PIK3CA (0.36) MAPTHTTS1PR1LMNA
SCHEMBL20116183 0.82 S1PR1 (0.43) MAPTS1PR1LMNAMAPK1TSHR
SCHEMBL20116391 0.82 FASN (0.35) MAPTHTTS1PR1LMNA
SCHEMBL22358310 0.81 S1PR1 (0.35) S1PR1

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 MAPT 22/4885SMN1; SMN2 13/4885HTT 6/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885SMN1; SMN2 13/4885HTT 6/4885

“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.