SCHEMBL22861995

SCHEMBL22861995

C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 2/20 0.44
▸ OPRM1 P35372 8/20 0.40
▸ OPRK1 P41145 8/20 0.40
▸ EPHA2 P29317 2/20 0.39
▸ GRB2 P62993 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ NMUR2 Q9GZQ4 2/20 0.36
▸ NMUR1 Q9HB89 2/20 0.36
▸ NPY5R Q15761 3/20 0.36
▸ NPY1R P25929 2/20 0.36
▸ NPY4R P50391 2/20 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
SCHEMBL22803170 0.87 NRP1 (0.42) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL26419823 0.87 NRP1 (0.42) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL30452201 0.87 NRP1 (0.43) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL20694547 0.86 NRP1 (0.46) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL20694549 0.84 MMP1 (0.35) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL24716410 0.84 NRP1 (0.45) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL22872708 0.84 NRP1 (0.54) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL30416793 0.84 NRP1 (0.46) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL22803169 0.84 NRP1 (0.45) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL29571627 0.82 NRP1 (0.54) NRP1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 — — US disclosed
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
WO-2021195401-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD. (US) 2021-09-30 — — WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
WO-2021003050-A2 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2021-01-07 — — 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 (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-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM NRP1 716/4885OPRM1 1622/4885OPRK1 2144/4885

“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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