SCHEMBL1721099

SCHEMBL1721099

CC(C)(N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
CHRNA4 P43681 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TAAR1 Q96RJ0 2/20 0.56
IDO1 P14902 4/20 0.50
MAOB P27338 4/20 0.46
KIF11 P52732 2/20 0.45
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3798782 0.82 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL25342534 0.82 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL1691810 0.82 ESR1 (0.54) TAAR1IDO1MAOBKIF11KMT2A
SCHEMBL1720495 0.80 IDO1 (0.52) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL21058264 0.79 TAAR1 (0.59) TAAR1IDO1MAOBKIF11KMT2A
SCHEMBL18373466 0.79 TAAR1 (0.59) TAAR1IDO1MAOBKIF11KMT2A
SCHEMBL9274712 0.78 TAAR1 (0.47) TAAR1IDO1MAOBKIF11ESR1
SCHEMBL34472339 0.78 SLC6A2 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL349725 0.77 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10262801 0.77 TAAR1 (0.45) TAAR1IDO1MAOBKIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076507-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed
EP-2647697-B1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-08-24 EP disclosed
US-9212348-B2 Method for producing hematopoietic stem cells using pyrazole compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2647629-B1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA NISSAN CHEMICAL IND LTD (JP) 2015-06-17 EP disclosed
US-20140057353-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUNDS REPROCELL INCORPORATED (JP) 2014-02-27 US disclosed
US-8658686-B2 Pyrazole compounds having therapeutic effect on multiple myeloma NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-25 US disclosed
EP-2647697-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2013-10-09 EP disclosed
EP-2647629-A1 PYRAZOLE COMPOUND HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA Nissan Chemical Industries, Ltd. (JP) 2013-10-09 EP disclosed
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-26 US disclosed
WO-2012074067-A1 PYRAZOLE COMPOUND HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA 日産化学工業株式会社 (JP) 2012-06-07 WO disclosed
WO-2012074068-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUND 日産化学工業株式会社 (JP) 2012-06-07 WO disclosed
EP-1730126-B1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
US-7244728-B2 Long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-17 US disclosed
US-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
EP-1577306-A1 novel benzoxazinone derivatives as slow-acting betamimetics and use thereof in treatment of respiratory tract diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-09-21 EP 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-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases ADRA1D, ADRB2, ADRA1A SLC6A2 715/4885HTR2A 157/4885SLC6A4 1261/4885
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA MCL1, BCL6, RTN3 SLC6A2 4249/4885HTR2A 4842/4885SLC6A4 4252/4885
US-20140057353-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUNDS HCLS1, RUNX1, HPRT1 SLC6A2 2728/4885HTR2A 4429/4885SLC6A4 1609/4885
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE PTH1R, CASR, SOST SLC6A2 3750/4885HTR2A 3685/4885SLC6A4 2788/4885
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 SLC6A2 3591/4885HTR2A 2772/4885SLC6A4 4235/4885

“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.