SCHEMBL20701799

SCHEMBL20701799

C=CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
MGLL Q99685 1/20 0.43
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 7/20 0.41
F2 P00734 3/20 0.41
CTSG P08311 2/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL20701800 1.00 FAAH (0.48) FAAHNPC1RAB9ASMN1; SMN2GAA
SCHEMBL17481627 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL1929718 0.83 HTR2C (0.48) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL20701414 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL22927031 0.78 TSHR (0.46) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL14554566 0.77 FAAH (0.50) FAAHNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8978249 0.75 HTR2C (0.56) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL6173741 0.74 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL14554771 0.74 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2ELANEF2
SCHEMBL1710024 0.73 TSHR (0.52) HTR2CL3MBTL1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186270-B1 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC (CA) 2020-02-19 EP disclosed
US-10537652-B2 Cyclic urea compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2020-01-21 US disclosed
US-20190151484-A2 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2019-05-23 US disclosed
US-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS VIDA THERAPEUTICS, INC. (CA) 2019-02-07 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 (1 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-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS GZMB, CTSB, SERPINB1 FAAH 1543/4885NPC1 2214/4885RAB9A 1012/4885

“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.