SCHEMBL20116732

SCHEMBL20116732

CC(C)n1ncc2ccc(-c3noc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.43
HDAC4 P56524 2/20 0.41
CYP11B2 P19099 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ACACB O00763 4/20 0.40
LRRK2 Q5S007 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RET P07949 2/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL20117195 0.91 CYP3A4 (0.46) NPC1LMNAMAPTHTT
SCHEMBL22357990 0.91 MAPT (0.46) SCD5HDAC4GPR119LRRK2RET
SCHEMBL20116472 0.88 CYP2C9 (0.42) SCD5ACACBNPC1LMNAMAPT
SCHEMBL20116672 0.85 GPR119 (0.40) HDAC4GPR119LRRK2HDAC1NPC1
SCHEMBL22358024 0.85 GPR119 (0.40) HDAC4GPR119LRRK2HDAC1NPC1
SCHEMBL20117139 0.85 HDAC4 (0.42) SCD5HDAC4CYP11B2GPR119LRRK2
SCHEMBL22357933 0.84 HDAC4 (0.43) SCD5HDAC4GPR119LRRK2HDAC1
SCHEMBL20116171 0.84 GPR119 (0.43) SCD5HDAC4CYP11B2GPR119ACACB
SCHEMBL20116941 0.83 CYP11B2 (0.43) SCD5CYP11B2ACACBLRRK2HDAC1
SCHEMBL20116724 0.82 MAPT (0.45) GPR119NPC1LMNAMAPTHTT

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 SCD5 1575/4885HDAC4 496/4885CYP11B2 93/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SCD5 1575/4885HDAC4 496/4885CYP11B2 93/4885

“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.