SCHEMBL20116172

SCHEMBL20116172

O=C(N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1)C1(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.38
IDO1 P14902 1/20 0.37
NR1H4 Q96RI1 3/20 0.37
USP30 Q70CQ3 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 2/20 0.35
TBK1 Q9UHD2 1/20 0.35
KIT P10721 2/20 0.35

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
SCHEMBL20676596 0.97 USP30 (0.37) USP7IDO1NR1H4USP30HTT
SCHEMBL26997875 0.94 PIK3CD (0.38) USP7IDO1NR1H4USP30SMN1; SMN2
SCHEMBL20676363 0.91 PIK3CD (0.38) USP7IDO1NR1H4USP30SMN1; SMN2
SCHEMBL20116423 0.90 FASN (0.43) USP7IDO1NR1H4USP30HTT
SCHEMBL21611248 0.90 NR1H4 (0.40) USP7IDO1NR1H4USP30NR1I2
SCHEMBL20676332 0.88 NR1H4 (0.37) USP7IDO1NR1H4SMN1; SMN2NR1I2
SCHEMBL20116521 0.88 USP7 (0.38) USP7IDO1USP30HTTSMN1; SMN2
SCHEMBL20676311 0.88 TBK1 (0.45) USP7USP30HTTSMN1; SMN2LMNA
SCHEMBL20116420 0.87 USP7 (0.39) USP7IDO1NR1H4USP30HTT
SCHEMBL20117083 0.87 USP7 (0.39) USP7NR1H4USP30HTTSMN1; SMN2

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 USP7 4265/4885IDO1 2876/4885NR1H4 1341/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 USP7 4265/4885IDO1 2876/4885NR1H4 1341/4885

“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.