SCHEMBL20116089

SCHEMBL20116089

COC(=O)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.42
USP7 Q93009 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CA P42336 4/20 0.40
MTOR P42345 4/20 0.40
USP30 Q70CQ3 3/20 0.39
HTT P42858 1/20 0.39
KIT P10721 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK14 Q16539 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL20116243 0.97 KDM4E (0.42) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20116244 0.94 PIK3CD (0.41) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20116302 0.94 PIK3CD (0.41) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL22358038 0.94 PIK3CD (0.41) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20676513 0.92 KDM4E (0.45) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20116041 0.91 GPR119 (0.49) USP7PIK3CAMTORUSP30TBK1
SCHEMBL20116980 0.91 USP30 (0.40) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20116981 0.91 USP30 (0.38) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20116420 0.91 USP7 (0.39) SMOUSP7KDM4ENPC1ALDH1A1
SCHEMBL20117141 0.90 SMO (0.41) SMOUSP7KDM4ENPC1ALDH1A1

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 SMO 1858/4885USP7 4265/4885KDM4E 2853/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMO 1858/4885USP7 4265/4885KDM4E 2853/4885

“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.