SCHEMBL18135246

SCHEMBL18135246

C[C@@H](c1c[nH]c2cccc(F)c12)[C@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL20555879 1.00 HTR2A (0.41) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL31427167 1.00 HTR2A (0.41) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL18135244 0.89 HTR2A (0.41) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL27273820 0.86 HTR2A (0.43) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL26966079 0.85 NR4A2 (0.48) GPR84ITGB2ICAM1ITGALKDM4E
SCHEMBL20555820 0.85 GPR84 (0.42) GPR84ITGB2ICAM1ITGALKDM4E
SCHEMBL21870777 0.85 GPR84 (0.42) GPR84ITGB2ICAM1ITGALKDM4E
SCHEMBL26966438 0.85 NR4A2 (0.48) GPR84ITGB2ICAM1ITGALKDM4E
SCHEMBL20555822 0.83 HTR2A (0.42) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL22603075 0.83 HTR2A (0.42) HTR2AFFAR1GPR84HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2026-04-30 — — US disclosed
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 — — EP disclosed
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 — — EP disclosed
US-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2025-05-15 — — US disclosed
WO-2024215820-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-10-17 — — WO disclosed
US-20240218406-A1 ENGINEERED BETA-SUBUNIT OF TRYPTOPHAN SYNTHASE FOR PRODUCTION OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-04 — — US disclosed
US-20240218406-A1 ENGINEERED BETA-SUBUNIT OF TRYPTOPHAN SYNTHASE FOR PRODUCTION OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-04 — — US disclosed
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-02 — — US disclosed
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-02 — — US disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 — — US disclosed
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-10-29 — — US disclosed
US-20200149078-A1 ENGINEERED BETA-SUBUNIT OF TRYPTOPHAN SYNTHASE FOR PRODUCTION OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-14 — — US disclosed
US-10612056-B2 Beta-substituted non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-04-07 — — US disclosed
US-20160298152-A1 ENGINEERED BETA-SUBUNIT OF TRYPTOPHAN SYNTHASE FOR PRODUCTION OF NON-CANONICAL AMINO ACIDS THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-10-13 — — US disclosed
US-20160298152-A1 ENGINEERED BETA-SUBUNIT OF TRYPTOPHAN SYNTHASE FOR PRODUCTION OF NON-CANONICAL AMINO ACIDS THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-10-13 — — 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 (6 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 HTR2A 3003/4885FFAR1 868/4885GPR84 1152/4885
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids AANAT, AADAT, TPH1 HTR2A 91/4885FFAR1 3292/4885GPR84 3894/4885
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 HTR2A 91/4885FFAR1 3292/4885GPR84 3894/4885
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS IL1A, IL1B, IL1RN HTR2A 2833/4885FFAR1 537/4885GPR84 2342/4885
US-10612056-B2 Beta-substituted non-canonical amino acids AANAT, TPH1, AADAT HTR2A 29/4885FFAR1 2270/4885GPR84 3415/4885
US-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA IL1R1, IL1A, IL1B HTR2A 3259/4885FFAR1 838/4885GPR84 1666/4885

“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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