SCHEMBL20116504

SCHEMBL20116504

COC(=O)N1CCN(c2noc(-c3ccc4cnn(C(C)C)c4c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
DGAT1 O75907 7/20 0.38
S1PR1 P21453 4/20 0.37
PTGER3 P43115 1/20 0.35
SMO Q99835 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 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
SCHEMBL20116365 0.90 LRRK2 (0.46) S1PR1LRRK2
SCHEMBL20117135 0.88 S1PR1 (0.36) HDAC8DGAT1S1PR1PTGER3LRRK2
SCHEMBL20116529 0.88 FASN (0.37) HDAC8DGAT1S1PR1PTGER3LRRK2
SCHEMBL20116454 0.85 S1PR1 (0.43) HDAC8S1PR1
SCHEMBL22358259 0.85 MAPT (0.51) MAPTSMN1; SMN2NPC1LMNAHTT
SCHEMBL22358046 0.84 HDAC1 (0.38) HDAC8DGAT1S1PR1PTGER3MAPT
SCHEMBL20116238 0.84 S1PR1 (0.38) HDAC8DGAT1S1PR1PTGER3
SCHEMBL20116074 0.83 PIK3CA (0.37) DGAT1S1PR1SMOLRRK2MAPT
SCHEMBL20116506 0.83 SMO (0.42) PTGER3SMOSMN1; SMN2NPC1LMNA
SCHEMBL20116176 0.83 DGAT1 (0.36) DGAT1S1PR1SMOLRRK2MAPT

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 HDAC8 1157/4885DGAT1 3020/4885S1PR1 2213/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HDAC8 1157/4885DGAT1 3020/4885S1PR1 2213/4885

“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.