SCHEMBL20116941

SCHEMBL20116941

CC(C)n1ncc2ccc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
ACACB O00763 5/20 0.43
LRRK2 Q5S007 1/20 0.42
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 2/20 0.41
SCD5 Q86SK9 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
RET P07949 2/20 0.40
SPR P35270 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 2/20 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
SCHEMBL22358338 0.86 CYP11B2 (0.45) CYP11B2ACACBLRRK2HSD17B10CYP3A4
SCHEMBL20116408 0.86 HRH3 (0.40) HSD17B10CYP3A4USP2CYP2C19ALDH1A1
SCHEMBL20116497 0.85 CYP2D6 (0.40) ACACBHSD17B10CYP3A4USP2CYP2C19
SCHEMBL20116732 0.83 SCD5 (0.43) CYP11B2ACACBLRRK2SCD5HDAC1
SCHEMBL20116098 0.82 SSTR5 (0.41) LRRK2NAMPT
SCHEMBL20116435 0.79 ALDH1A1 (0.41) HSD17B10CYP3A4USP2CYP2C19ALDH1A1
SCHEMBL20117139 0.76 HDAC4 (0.42) CYP11B2LRRK2SCD5NAMPT
SCHEMBL20116438 0.76 TSHR (0.43) HSD17B10CYP3A4USP2CYP2C19ALDH1A1
SCHEMBL15052918 0.75 MAPT (0.44) LRRK2CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL15052917 0.75 MAPT (0.44) LRRK2CYP3A4ALDH1A1TSHRSMN1; 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 CYP11B2 93/4885ACACB 920/4885LRRK2 1347/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CYP11B2 93/4885ACACB 920/4885LRRK2 1347/4885

“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.