SCHEMBL29706406

SCHEMBL29706406

CCC(C)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(N)=O)C(N)=O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.68
▸ NPY4R P50391 8/20 0.68
▸ NPY5R Q15761 8/20 0.68
▸ NPY1R P25929 6/20 0.68
▸ KDM1A O60341 3/20 0.65
▸ CALCR P30988 3/20 0.65
▸ TFPI P10646 4/20 0.64
▸ MAOB P27338 1/20 0.63
▸ KDM5A P29375 1/20 0.63
▸ KDM1B Q8NB78 1/20 0.63

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
SCHEMBL29854460 1.00 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29369173 1.00 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30658322 0.93 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182587 0.91 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31105560 0.91 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29530680 0.90 CALCR (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31547377 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182542 0.90 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495624 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30607383 0.90 CALCR (0.67) NPY2RNPY4RNPY5RNPY1RKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850263-B2 Nanoparticles conjugated with vasoactive intestinal peptide antagonists EMORY UNIVERSITY (US) 2023-12-26 — — US claimed
US-20230190865-A1 VIP Antagonists and Uses in Treating Cancer GEORGIA TECH RESEARCH CORPORATION 2023-06-22 — — US claimed
US-11471506-B2 VIP antagonists and uses in treating cancer EMORY UNIVERSITY (US) 2022-10-18 — — US claimed
US-20260124192-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING RNA VIRAL INFECTIONS MODEL MEDICINES INC (US) 2026-05-07 — — US disclosed
US-20260102384-A1 USE OF PIPENDOXIFENE FOR TREATING INFECTIONS OF DNA VIRUSES MODEL MEDICINES INC (US) 2026-04-16 — — US disclosed
US-12551475-B2 Methods and compositions for treating RNA viral infections MODEL MEDICINES, INC. (US) 2026-02-17 — — US disclosed
EP-4667008-A2 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS Model Medicines, Inc. (US) 2025-12-24 — — EP disclosed
US-20250122258-A1 COMPOSITIONS AND USES OF VASOACTIVE INTESTINAL PEPTIDE (VIP) ANTAGONISTS EMORY UNIVERSITY 2025-04-17 — — US disclosed
US-20250025454-A1 USE OF PIPENDOXIFENE TO TREAT SARS-COV-2 INFECTION MODEL MEDICINES INC (US) 2025-01-23 — — US disclosed
US-12098180-B2 Compositions and uses of vasoactive intestinal peptide (VIP) antagonists EMORY UNIVERSITY (US) 2024-09-24 — — US disclosed
US-20240271092-A1 Methods of Treating Cancer and Infectious Diseases Using Cell Based Therapies EMORY UNIVERSITY 2024-08-15 — — US disclosed
WO-2023081835-A1 EXPANDING T-CELL USING MITOFUSIN ACTIVATORS AND USES IN CANCER THERAPIES EMORY UNIVERSITY (US) 2023-05-11 — — WO disclosed
EP-4157448-A1 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS Model Medicines, Inc. (US) 2023-04-05 — — EP disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
WO-2022245820-A1 VASOACTIVE INTESTINAL PEPTIDE (VIP) RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2022-11-24 — — WO disclosed
US-11471506-B2 VIP antagonists and uses in treating cancer EMORY UNIVERSITY (US) 2022-10-18 — — US disclosed
US-11464855-B2 Antagonism of the VIP signaling pathway EMORY UNIVERSITY (US) 2022-10-11 — — US disclosed
CN-115094036-A Methods of treating cancer and infectious diseases using cell-based therapies 爱默蕾大学 2022-09-23 — — CN disclosed
WO-2022159763-A1 SARS-COV-2 THERAPEUTICS MODEL MEDICINES, INC. (US) 2022-07-28 — — WO disclosed
CN-108778312-B Methods of treating cancer and infectious diseases using cell-based therapies 爱默蕾大学 2022-07-15 — — 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 (5 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 NPY2R 4092/4885NPY4R 2463/4885NPY5R 3969/4885
US-12551475-B2 Methods and compositions for treating RNA viral infections SARS1, EIF2AK2, SNRPE NPY2R 3040/4885NPY4R 3418/4885NPY5R 3095/4885
US-20260102384-A1 USE OF PIPENDOXIFENE FOR TREATING INFECTIONS OF DNA VIRUSES ESR1, VDR, POLL NPY2R 2488/4885NPY4R 1339/4885NPY5R 1218/4885
US-20260124192-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING RNA VIRAL INFECTIONS SARS1, NSUN2, NSUN3 NPY2R 2690/4885NPY4R 2564/4885NPY5R 2014/4885
US-20250025454-A1 USE OF PIPENDOXIFENE TO TREAT SARS-COV-2 INFECTION EIF2AK2, ACE2, SARS1 NPY2R 2282/4885NPY4R 3585/4885NPY5R 2496/4885

“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