SCHEMBL20116615

SCHEMBL20116615

CNC(=O)O[C@H]1CC[C@@H](c2nc(-c3ccc4cnn(C(C)C)c4c3)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.43
KIT P10721 8/20 0.42
SMO Q99835 1/20 0.41
GRM5 P41594 3/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP12 P39900 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 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
SCHEMBL20116835 1.00 PTGER3 (0.43) PTGER3KITSMOGRM5DPP4
SCHEMBL22358278 0.86 SMO (0.49) SMONR1H4LMNATSHRSMN1; SMN2
SCHEMBL20116507 0.83 NR1H4 (0.45) PTGER3SMOGRM5NR1H4LMNA
SCHEMBL20116846 0.83 NR1H4 (0.45) PTGER3SMOGRM5NR1H4LMNA
SCHEMBL22357906 0.83 PTGER3 (0.44) PTGER3KITSMOGRM5DPP4
SCHEMBL20117200 0.83 PTGER3 (0.44) PTGER3KITSMOGRM5DPP4
SCHEMBL22357902 0.82 SMO (0.52) SMOGRM5NR1H4LMNATSHR
SCHEMBL22358214 0.82 KIT (0.47) PTGER3KITSMOGRM5DPP4
SCHEMBL20116437 0.82 KIT (0.47) PTGER3KITSMOGRM5DPP4
SCHEMBL20116409 0.81 GRM5 (0.43) PTGER3GRM5DPP4DPP8DPP7

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 PTGER3 1760/4885KIT 4491/4885SMO 1858/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PTGER3 1760/4885KIT 4491/4885SMO 1858/4885

“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.