SCHEMBL22357997

SCHEMBL22357997

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5cccnc5)CC4)n3)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 7/20 0.49
LMNA P02545 5/20 0.49
TSHR P16473 3/20 0.49
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMO Q99835 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
PPARA Q07869 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HSD11B1 P28845 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
SCHEMBL22357882 0.91 SMN1; SMN2 (0.54) HTTSMN1; SMN2LMNATSHRCYP2D6
SCHEMBL22357915 0.91 SMN1; SMN2 (0.56) HTTSMN1; SMN2LMNATSHRCYP2D6
SCHEMBL22357867 0.88 RAB9A (0.56) SMN1; SMN2LMNATSHRCYP2D6CYP2C9
SCHEMBL22358359 0.86 LMNA (0.54) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL22358006 0.86 NPSR1 (0.47) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL20116373 0.86 GRM5 (0.55) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL20116450 0.86 HTT (0.46) HTTSMN1; SMN2LMNATSHRCYP2D6
SCHEMBL22358275 0.86 SMN1; SMN2 (0.48) HTTSMN1; SMN2LMNATSHRCYP2D6
SCHEMBL22357857 0.84 HSD11B1 (0.54) HTTSMN1; SMN2LMNATSHRCYP2C9
SCHEMBL20116479 0.84 LMNA (0.57) HTTSMN1; SMN2LMNATSHRALDH1A1

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 3 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-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 HTT 6/4885SMN1; SMN2 13/4885LMNA 1966/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTT 6/4885SMN1; SMN2 13/4885LMNA 1966/4885

“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.