Umespirone

Umespirone

SCHEMBL678458

CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(c4ccccc4OC)CC3)C(=O)C(C1=O)C2(C)C

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.69
DRD3 P35462 3/20 0.69
HTR1A P08908 5/20 0.67
HTR7 P34969 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTR2A P28223 1/20 0.64
HTR6 P50406 1/20 0.64
ADRA1D P25100 5/20 0.63
ADRA1A P35348 5/20 0.63
ADRA1B P35368 5/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
ALOX12 P18054 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL13532577 0.96 HTR1A (0.64) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL10631261 0.91 HTR1A (0.58) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL13532574 0.87 HTR1A (0.58) DRD2HTR1AHTR7MEN1KMT2A
SCHEMBL20048037 0.86 SMN1; SMN2 (0.56) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL13532573 0.86 KDM4E (0.64) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL10414460 0.83 DRD2 (1.00) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL13875119 0.82 HTR1A (1.00) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL6244716 0.81 DRD2 (0.72) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL16281735 0.81 HTR1A (0.97) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL16281719 0.81 HTR1A (0.97) DRD2DRD3HTR1AHTR7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137854-A1 TAAR Receptor Agonists for the Treatment of Alopecia JUPITER WELLNESS INC. 2021-05-13 US claimed
EP-3154967-B1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES JOHNSON MATTHEY PLC (GB) 2020-07-29 EP claimed
WO-2020023084-A1 TAAR RECEPTOR AGONISTS FOR THE TREATMENT OF ALOPECIA APPLIED BIOLOGY, INC. (US) 2020-01-30 WO claimed
US-20190091164-A1 Therapeutic Nanoparticles Comprising A Therapeutic Agent And Methods of Making And Using Same PFIZER INC. (US) 2019-03-28 US claimed
CN-108348506-A Include the therapeutic nanoparticle and its preparation and application of therapeutic agent 辉瑞公司 2018-07-31 CN claimed
EP-3337516-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME Pfizer Inc (US) 2018-06-27 EP claimed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US claimed
EP-3154967-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES Johnson Matthey Public Limited Company (GB) 2017-04-19 EP claimed
WO-2017034991-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME PFIZER INC. (US) 2017-03-02 WO claimed
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME PFIZER INC. 2017-02-23 US claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
CN-1946404-A Pharmaceutical compositions for the treatment of sexual disorders II BOEHRINGER INGELHEIM PHARMA (DE) 2007-04-11 CN claimed
EP-1740181-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SEXUAL DISORDERS II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP claimed
US-20050245539-A1 Pharmaceutical compositions for the treatment of sexual disorders II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US claimed
WO-2005102342-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SEXUAL DISORDERS II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20040023948-A1 Fast-dispersing dosage form containing 5-HT1 agonists CATALENT USA PAINTBALL, INC. 2004-02-05 US claimed
EP-0969842-A1 PHARMACEUTICAL COMPOSITION R.P. Scherer Limited (GB) 2000-01-12 EP claimed
WO-1998042344-A1 PHARMACEUTICAL COMPOSITION R. P. SCHERER LIMITED (GB) 1998-10-01 WO claimed
US-4771044-A ANTIPSYCHOTICS, ANTIDEPRESSANTS AND ANXIOLYTICS KALI-CHEMIE PHARMA GMBH (DE) 1988-09-13 US claimed

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-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 DRD2 110/4885DRD3 93/4885HTR1A 270/4885
US-20190091164-A1 Therapeutic Nanoparticles Comprising A Therapeutic Agent And Methods of Making And Using Same CTSA, GAA, EEA1 DRD2 4865/4885DRD3 4839/4885HTR1A 4649/4885
US-20050245539-A1 Pharmaceutical compositions for the treatment of sexual disorders II FLNB, FLNA, FGB DRD2 38/4885DRD3 164/4885HTR1A 222/4885
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME CTSA, GAA, EEA1 DRD2 4865/4885DRD3 4839/4885HTR1A 4649/4885

“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.