SCHEMBL606161

SCHEMBL606161

O=C(O)CCc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.55
PIN1 Q13526 1/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.53
DAO P14920 1/20 0.53
HPGD P15428 1/20 0.53
SRD5A2 P31213 1/20 0.53
CHRM1 P11229 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
FLT3 P36888 1/20 0.50
IDO1 P14902 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL29417817 1.00 MTNR1A (0.60) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL29272703 0.98 MTNR1A (0.59) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL29353585 0.92 MTNR1A (0.56) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL28048759 0.92 MTNR1A (0.56) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL143130 0.92 MTNR1A (0.56) MTNR1AMTNR1BLOXL2PIN1KDM4E
Ammonia Solution, Strong SCHEMBL28825523 0.90 MTNR1A (0.55) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL6256471 0.90 MTNR1A (0.55) MTNR1AMTNR1BLOXL2PIN1KDM4E
SCHEMBL3887747 0.90 MTNR1A (0.55) MTNR1AMTNR1BLOXL2PIN1KDM4E
Naphthalene SCHEMBL28348414 0.90 MTNR1A (0.55) MTNR1AMTNR1BLOXL2PIN1KDM4E
Potassium SCHEMBL3895695 0.90 MTNR1A (0.55) MTNR1AMTNR1BLOXL2PIN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240350456-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING INFLAMMATORY CONDITIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-24 US claimed
US-11542540-B2 Control nucleic acids, and compositions, kits, and uses thereof Life Technologies Corporation (US) 2023-01-03 US claimed
CN-115192716-A Methods and systems for predicting, preventing or treating post-operative delirium 中国人民解放军空军特色医学中心 2022-10-18 CN claimed
CN-114831984-A Application of indolpropanoic acid in preparation of drug for preventing and/or treating nephritis 滨州医学院 2022-08-02 CN claimed
CN-114438138-A Metabolic composition prepared from clostridium sporogenes, and production method, detection method and application thereof 重庆市畜牧科学院 2022-05-06 CN claimed
CN-113234009-B Preparation method of nifedipine 合肥立方制药股份有限公司 2022-03-08 CN claimed
US-20220048979-A1 TREATMENT OF STAPHYLOCOCCAL DISORDERS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2022-02-17 US claimed
CN-113440522-A Application of indolpropionic acid in preparation of drugs for treating autism 中山大学附属第七医院(深圳) 2021-09-28 CN claimed
CN-113234009-A Preparation method of nifedipine 合肥立方制药股份有限公司 2021-08-10 CN claimed
CN-112500392-A C2-carbonyl ethyl indole derivative and preparation method and application thereof 华南理工大学 2021-03-16 CN claimed
CN-111346081-A New use of pharmaceutical composition comprising n-pentanoic acid, indolpropanic acid and sodium n-butyrate 崔明 2020-06-30 CN claimed
CN-111253304-A Preparation method of nifedipine 合肥立方制药股份有限公司 2020-06-09 CN claimed
CN-111233672-A Method for synthesizing nifedipine intermediate by using combined catalyst 合肥立方制药股份有限公司 2020-06-05 CN claimed
WO-2018071687-A1 METHODS OF TREATING PRURITIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-19 WO claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP claimed
EP-0609638-A1 Water soluble polymeric systems of phytohormones with slow release: synthesis and application Tsatsakis, Aristidis (GR) 1994-08-10 EP claimed
EP-0251011-B1 INDOLYL PROPIONIC ACIDS BAYER AG (DE) 1990-10-24 EP claimed
US-20250228870-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS ASTRAZENECA AB (SE) 2025-07-17 US disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 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 (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-20250228870-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS DPEP1, TPP1, DPP9 MTNR1A 1502/4885MTNR1B 1632/4885LOXL2 1730/4885

“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.