SCHEMBL20116437

SCHEMBL20116437

CC(C)n1ncc2ccc(-c3noc([C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.47
LIPG Q9Y5X9 1/20 0.42
PTGER3 P43115 1/20 0.41
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMO Q99835 2/20 0.38
GRM5 P41594 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP12 P39900 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
KDM1A O60341 1/20 0.36
CPT1A P50416 1/20 0.36

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
SCHEMBL22358214 1.00 KIT (0.47) KITLIPGPTGER3HDAC4HDAC6
SCHEMBL20117200 0.88 PTGER3 (0.44) KITPTGER3SMOGRM5DPP4
SCHEMBL22357906 0.88 PTGER3 (0.44) KITPTGER3SMOGRM5DPP4
SCHEMBL20116717 0.87 KIT (0.47) KITLIPGHDAC4HDAC6SMO
SCHEMBL20116716 0.87 KIT (0.47) KITLIPGHDAC4HDAC6SMO
SCHEMBL22358127 0.85 GPR119 (0.47) HDAC4HDAC6SMODPP4DPP8
SCHEMBL22357985 0.84 SMO (0.44) SMOLMNATSHRSMN1; SMN2
SCHEMBL22358283 0.83 FAAH (0.46) GRM5
SCHEMBL20116835 0.82 PTGER3 (0.43) KITPTGER3SMOGRM5DPP4
SCHEMBL20116615 0.82 PTGER3 (0.43) KITPTGER3SMOGRM5DPP4

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 KIT 4491/4885LIPG 4357/4885PTGER3 1760/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885LIPG 4357/4885PTGER3 1760/4885

“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.