SCHEMBL22357906

SCHEMBL22357906

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.44
NR1H4 Q96RI1 4/20 0.41
KIT P10721 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MMP12 P39900 1/20 0.40
GRM5 P41594 5/20 0.39
SMO Q99835 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20117200 1.00 PTGER3 (0.44) PTGER3NR1H4KITSMN1; SMN2TSHR
SCHEMBL20116437 0.88 KIT (0.47) PTGER3NR1H4KITSMN1; SMN2TSHR
SCHEMBL22358214 0.88 KIT (0.47) PTGER3NR1H4KITSMN1; SMN2TSHR
SCHEMBL20116507 0.85 NR1H4 (0.45) PTGER3NR1H4SMN1; SMN2TSHRLMNA
SCHEMBL20116846 0.85 NR1H4 (0.45) PTGER3NR1H4SMN1; SMN2TSHRLMNA
SCHEMBL20116434 0.83 GRM5 (0.43) PTGER3NR1H4SMN1; SMN2TSHRLMNA
SCHEMBL20116409 0.83 GRM5 (0.43) PTGER3NR1H4SMN1; SMN2TSHRLMNA
SCHEMBL20117198 0.83 NPC1 (0.54) NR1H4SMN1; SMN2LMNAMMP12GRM5
SCHEMBL20116835 0.83 PTGER3 (0.43) PTGER3NR1H4KITSMN1; SMN2TSHR
SCHEMBL20116615 0.83 PTGER3 (0.43) PTGER3NR1H4KITSMN1; SMN2TSHR

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 3 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

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 1760/4885NR1H4 1341/4885KIT 4491/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PTGER3 1760/4885NR1H4 1341/4885KIT 4491/4885

“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.