SCHEMBL5285556

SCHEMBL5285556

COc1cccc(NCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
NLRP3 Q96P20 1/20 0.56
USP2 O75604 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MITF O75030 1/20 0.54
GRK2 P25098 2/20 0.53
GRK5 P34947 2/20 0.53
GRK3 P35626 2/20 0.53
ROCK2 O75116 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL21194007 0.91 MTNR1A (0.53) MTNR1AMTNR1BLMNAPKMHTT
SCHEMBL5284916 0.90 GRK2 (0.57) MTNR1AMTNR1BPKMHTTNPC1
Hydrochloric Acid SCHEMBL5109957 0.89 MTNR1A (0.60) MTNR1AMTNR1BPKMNPC1RAB9A
SCHEMBL9780049 0.87 MTNR1A (0.61) MTNR1AMTNR1BPKMNPC1RAB9A
SCHEMBL5534537 0.85 MTNR1A (0.60) MTNR1AMTNR1BLMNAPKMNPC1
SCHEMBL9795603 0.85 PPARA (0.62) LMNAPKMHTTNPC1RAB9A
SCHEMBL23771128 0.84 MTNR1A (0.56) MTNR1AMTNR1BPKMHTTNPC1
SCHEMBL5290036 0.84 HTT (0.55) LMNAPKMHTTNPC1RAB9A
SCHEMBL28325191 0.84 MTNR1B (0.58) MTNR1AMTNR1BNPC1RAB9AUSP2
SCHEMBL5285305 0.84 GRK2 (0.55) LMNAPKMHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 CN disclosed
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 US disclosed
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed
EP-1112252-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF Adolor Corporation (US) 2001-07-04 EP disclosed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 US disclosed
US-6057323-A PIPERAZINE DERIVATIVES ADOLOR CORPORATION (US) 2000-05-02 US disclosed
US-6054445-A KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION (US) 2000-04-25 US disclosed
WO-2000014065-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 2000-03-16 WO disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
US-4018759-A BACTERICIDES SMITHKLINE CORPORATION (US) 1977-04-19 US disclosed
US-3957768-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-05-18 US disclosed
US-3946005-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-03-23 US disclosed
US-3943129-A BACTERICIDE SMITHKLINE CORPORATION (US) 1976-03-09 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 (4 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MTNR1A 219/4885MTNR1B 302/4885LMNA 1762/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 MTNR1A 219/4885MTNR1B 302/4885LMNA 1762/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MTNR1A 219/4885MTNR1B 302/4885LMNA 1762/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 MTNR1A 3327/4885MTNR1B 1483/4885LMNA 735/4885

“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.