SCHEMBL386164

SCHEMBL386164

Clc1ccc(CCCI)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
ALOX15 P16050 2/20 0.50
IGF1R P08069 1/20 0.50
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL9127398 0.93 IGF1R (0.53) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL6067810 0.91 IGF1R (0.52) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL11400125 0.91 IGF1R (0.52) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL2657239 0.87 TAAR1 (0.59) TAAR1ALOX15IGF1RHTR3EHTR3B
Glutaral SCHEMBL9719285 0.84 IGF1R (0.43) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL18050371 0.84 TAAR1 (0.62) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL10365734 0.84 IGF1R (0.64) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL28966782 0.81 IGF1R (0.61) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL1115439 0.81 IGF1R (0.61) TAAR1ALOX15IGF1RHTR3EHTR3B
SCHEMBL1044301 0.80 TAAR1 (0.52) TAAR1ALOX15IGF1RHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979693-A Alkyl trimethyl tin compounds, and preparation method and application thereof 天津师范大学 2021-06-18 CN claimed
CN-112979693-B Alkyl trimethyl tin compounds, and preparation method and application thereof 天津师范大学 2023-03-28 CN disclosed
CN-112979693-A Alkyl trimethyl tin compounds, and preparation method and application thereof 天津师范大学 2021-06-18 CN disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 WO disclosed
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 US disclosed
WO-2010139707-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-09 WO disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-5861428-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO BAYER CORPORATION (US) 1999-01-19 US disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed
US-5854277-A Thiophenebutanoic acid derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 1998-12-29 US disclosed
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
CN-1163604-A Substituted 4-diarylbutanoic or 5-diarylpentanoic acids and derivatives thereof as matrix metalloproteinase inhibitors BAYER AG (US) 1997-10-29 CN disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4004016-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-01-18 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 (3 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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R TAAR1 1/4885ALOX15 1263/4885IGF1R 890/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 TAAR1 309/4885ALOX15 166/4885IGF1R 1149/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A TAAR1 12/4885ALOX15 617/4885IGF1R 482/4885

“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.