SCHEMBL29496063

SCHEMBL29496063

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 4/20 0.54
▸ NTSR2 O95665 1/20 0.53
▸ OPRD1 P41143 6/20 0.51
▸ F2 P00734 4/20 0.51
▸ APLNR P35414 1/20 0.49
▸ AGTR1 P30556 1/20 0.48

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
SCHEMBL29440671 0.88 NTSR1 (0.56) NTSR1NTSR2OPRD1
SCHEMBL30607452 0.82 NTSR1 (0.47) NTSR1NTSR2F2
SCHEMBL29845666 0.80 OPRD1 (0.56) NTSR1NTSR2OPRD1F2
SCHEMBL29440668 0.79 PLK1 (0.50) NTSR1NTSR2
SCHEMBL29551878 0.78 OPRD1 (0.56) NTSR1NTSR2OPRD1APLNRAGTR1
SCHEMBL30586481 0.78 XIAP (0.53) NTSR1NTSR2F2
SCHEMBL31461901 0.77 CALCR (0.52) —
SCHEMBL31461848 0.77 CALCR (0.53) —
SCHEMBL31461892 0.77 CALCR (0.53) —
SCHEMBL31461927 0.77 CALCRL (0.46) NTSR1OPRD1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032503-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE HOTH THERAPEUTICS, INC. 2025-01-30 — — US claimed
US-20260055116-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS KARUNA THERAPEUTICS INC (US) 2026-02-26 — — US disclosed
WO-2025227105-A1 CLEAVABLE LINKERS WITH TUNABLE HALF-LIVES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2025-10-30 — — WO disclosed
EP-4634193-A1 SUBSTITUTED DIHYDROPYRROLO[3, 4-D]PYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2025-10-22 — — EP disclosed
US-12421242-B2 Substituted tetrahydropyrrolo-pyridinone compounds and their use in treating medical conditions Karuna Therapeutics, Inc. (US) 2025-09-23 — — US disclosed
US-12398119-B2 Piperazine azaspiro derivatives PFIZER INC. (US) 2025-08-26 — — US disclosed
US-20250032503-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE HOTH THERAPEUTICS, INC. 2025-01-30 — — US disclosed
EP-3488837-B1 ELECTROPORATION APPARATUS FOR PROVIDING AGENTS TO THE COCHLEA NEWSOUTH INNOVATIONS PTY LTD (AU) 2024-11-27 — — EP disclosed
US-12144815-B2 Use of aprepitant for treating Alzheimer's disease HOTH THERAPEUTICS, INC. (US) 2024-11-19 — — US disclosed
US-20240336619-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. 2024-10-10 — — US disclosed
US-11524954-B2 Piperazine azaspiro derivatives PFIZER INC. (US) 2022-12-13 — — US disclosed
EP-3642202-B1 DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2022-11-02 — — EP disclosed
US-11472805-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PFIZER, INC. (US) 2022-10-18 — — US disclosed
WO-2022212362-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-10-06 — — WO disclosed
US-20220265672-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE HOTH THERAPEUTICS, INC. 2022-08-25 — — US disclosed
CN-110944998-B Dihydro-pyrrolo-pyridine derivatives 辉瑞大药厂 2022-08-16 — — CN disclosed
EP-4037715-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF Beijing Xuanyi Pharmasciences Co., Ltd. (CN) 2022-08-10 — — EP disclosed
CN-114630818-A Protein-macromolecule conjugates and methods of use thereof 北京轩义医药科技有限公司 2022-06-14 — — CN disclosed
EP-3766885-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER (US) 2022-05-25 — — EP disclosed
CN-109641898-B 5, 7-dihydro-pyrrolo-pyridine derivatives for the treatment of neurological and neurodegenerative diseases 辉瑞公司 2022-04-08 — — CN 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 (9 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-12144815-B2 Use of aprepitant for treating Alzheimer's disease TACR1, ACHE, TACR2 NTSR1 33/4885NTSR2 35/4885OPRD1 599/4885
US-12398119-B2 Piperazine azaspiro derivatives CHRM1, CHRM2, CHRM5 NTSR1 689/4885NTSR2 783/4885OPRD1 7/4885
US-20220265672-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE TACR1, ACHE, TACR2 NTSR1 33/4885NTSR2 35/4885OPRD1 599/4885
US-20250032503-A1 USE OF APREPITANT FOR TREATING ALZHEIMER'S DISEASE TACR1, ACHE, TACR2 NTSR1 33/4885NTSR2 35/4885OPRD1 599/4885
US-20240336619-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS CHRM3, CHRM4, CHRM2 NTSR1 177/4885NTSR2 150/4885OPRD1 196/4885
US-11472805-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PDE3B, PDE3A, PDE5A NTSR1 799/4885NTSR2 772/4885OPRD1 1045/4885
US-11524954-B2 Piperazine azaspiro derivatives CHRM1, CHRM2, CHRM5 NTSR1 689/4885NTSR2 783/4885OPRD1 7/4885
US-12421242-B2 Substituted tetrahydropyrrolo-pyridinone compounds and their use in treating medical conditions CHRM3, CHRM4, CHRM2 NTSR1 177/4885NTSR2 150/4885OPRD1 196/4885
US-20260055116-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS CHRM3, CHRM2, CHRM1 NTSR1 150/4885NTSR2 210/4885OPRD1 45/4885

“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.

Send feedback