SCHEMBL25054045

SCHEMBL25054045

C[C@@H](C=O)NC(=O)CNC[C@H](C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.45
▸ AOC3 Q16853 1/20 0.45
▸ GPR139 Q6DWJ6 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL20881309 0.84 CTSB (0.49) HTTCAPN1
SCHEMBL16128275 0.80 TAAR1 (0.53) NPC1RAB9ATAAR1AOC3MEN1
SCHEMBL23491352 0.80 NPC1 (0.48) NPC1RAB9ATAAR1AOC3GPR139
SCHEMBL25054009 0.77 MME (0.45) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL20881561 0.75 OPRK1 (0.54) CAPN1
SCHEMBL7394409 0.75 TAAR1 (0.47) NPC1RAB9ATAAR1AOC3MEN1
SCHEMBL7394405 0.75 TAAR1 (0.47) NPC1RAB9ATAAR1AOC3MEN1
SCHEMBL19381906 0.75 TAAR1 (0.59) NPC1RAB9ATAAR1AOC3MEN1
SCHEMBL3024849 0.74 POLB (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL3024846 0.74 POLB (0.59) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 — — US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 — — 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NPC1 2300/4885RAB9A 2092/4885TAAR1 4670/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NPC1 2300/4885RAB9A 2092/4885TAAR1 4670/4885

“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.

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