SCHEMBL20117150

SCHEMBL20117150

CCC(=O)N1CCC(c2nc(-c3ccc4onc(C(C)C)c4c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
SMO Q99835 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL20117146 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNATSHRSMOALDH1A1
SCHEMBL20117119 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRALOX15MAPK1
SCHEMBL20116613 0.87 SMO (0.53) SMN1; SMN2LMNATSHRTLR9TLR8
SCHEMBL20676350 0.86 GRM5 (0.53) SMN1; SMN2LMNATSHRALDH1A1HTT
SCHEMBL20116037 0.85 GPR119 (0.47) SMN1; SMN2LMNATSHRTLR8TLR7
SCHEMBL20116800 0.79 NR1H4 (0.61) TLR9TLR8TLR7
SCHEMBL20116646 0.79 HTT (0.59) SMN1; SMN2LMNATSHRALOX15MAPK1
SCHEMBL20676490 0.78 TLR9 (0.43) SMN1; SMN2LMNATSHRTLR9TLR8
SCHEMBL22357917 0.78 GPR119 (0.47) SMN1; SMN2LMNATSHRTLR8TLR7
SCHEMBL20676419 0.76 LMNA (0.48) SMN1; SMN2LMNATSHRALOX15MAPK1

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 6 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
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 SMN1; SMN2 13/4885LMNA 1966/4885TSHR 4679/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885LMNA 1966/4885TSHR 4679/4885

“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.