SCHEMBL20116063

SCHEMBL20116063

COC1(C(=O)N2CCC(c3noc(-c4ccc5cnn(C(C)C)c5c4)n3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTR4 Q13639 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
USP30 Q70CQ3 4/20 0.38
HTT P42858 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
SMO Q99835 1/20 0.37
PTGER3 P43115 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL20116506 0.90 SMO (0.42) USP7SMN1; SMN2HTR4KDM4ENPC1
SCHEMBL20116895 0.89 FASN (0.46) USP7SMN1; SMN2HTR4KDM4ENPC1
SCHEMBL20116502 0.87 USP7 (0.39) USP7SMN1; SMN2HTR4KDM4ENPC1
SCHEMBL20116529 0.85 FASN (0.37) PTGER3
SCHEMBL22358472 0.85 USP30 (0.48) USP7SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL20116420 0.85 USP7 (0.39) USP7SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL20116047 0.85 SMO (0.46) SMN1; SMN2ALDH1A1HTTNR1H4SMO
SCHEMBL20116372 0.84 HTR4 (0.39) USP7SMN1; SMN2HTR4CYP2D6KCNH2
SCHEMBL20117082 0.83 TBK1 (0.44) USP7SMN1; SMN2HTR4ALDH1A1CYP2D6
SCHEMBL22358288 0.82 USP7 (0.40) USP7SMN1; SMN2HTR4CYP2D6KCNH2

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 4265/4885SMN1; SMN2 13/4885HTR4 482/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 USP7 4265/4885SMN1; SMN2 13/4885HTR4 482/4885

“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.