SCHEMBL6153313

SCHEMBL6153313

NCCc1c[nH]c2ccc(NC(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.64
HTR1A P08908 10/20 0.63
HTR1D P28221 9/20 0.63
HTR1B P28222 8/20 0.63
HTR2C P28335 4/20 0.60
CYP1A2 P05177 4/20 0.60
HTR5A P47898 3/20 0.60
HTR6 P50406 3/20 0.60
TSHR P16473 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTR2A P28223 6/20 0.58
CYP2C9 P11712 2/20 0.58
HTR2B P41595 2/20 0.58
HTR1E P28566 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL6765265 0.89 HTR1A (0.64) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10552982 0.88 HTR1D (0.69) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10577689 0.87 HTR1A (0.60) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL2539336 0.86 HTR7 (0.61) HTR7HTR1AHTR1DHTR1BHTR2C
Water SCHEMBL10581586 0.86 HTR1A (0.58) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10552426 0.85 HTR1D (0.62) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10578720 0.85 HTR1D (0.62) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10578881 0.85 CYP1A2 (0.58) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL10555975 0.84 HTR1A (0.57) HTR7HTR1AHTR1DHTR1BHTR2C
SCHEMBL2541510 0.84 HTR1A (0.63) HTR7HTR1AHTR1DHTR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839377-A TREATMENT OF MIGRAINE GLAXO GROUP LIMITED (GB) 1989-06-13 US claimed
US-11897918-B2 Compositions and methods to increase production Seqirus UK Limited (GB) 2024-02-13 US disclosed
EP-3131578-B1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION SEQIRUS UK LTD (GB) 2020-06-03 EP disclosed
US-20200040040-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION NOVARTIS (CH) 2020-02-06 US disclosed
CN-108697670-A Serotonin 1B receptor stimulators for transplanting potentiality in reinforcement 巴斯德研究院 2018-10-23 CN disclosed
CN-108348486-A 5-hydroxytryptamine 1B receptor agonists as promoters for satellite cell self-renewal and/or differentiation 巴斯德研究院 2018-07-31 CN disclosed
EP-3131578-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION Novartis AG (CH) 2017-02-22 EP disclosed
US-20170044216-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION Seqirus UK Limited (GB) 2017-02-16 US disclosed
WO-2015158927-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION NOVARTIS AG (CH) 2015-10-22 WO disclosed
CN-103339109-B Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2015-04-29 CN disclosed
EP-1173168-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION Respiratorius AB (SE) 2002-01-23 EP disclosed
WO-2000064441-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION RESPIRATORIUS AB (SE) 2000-11-02 WO disclosed
EP-0665887-B1 HUMAN 5-HT 2? RECEPTOR SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
EP-0861081-A1 USE OF EPINASTINE IN THE TREATMENT OF PAIN BOEHRINGER INGELHEIM KG (DE) 1998-09-02 EP disclosed
WO-1997017971-A1 USE OF EPINASTINE IN THE TREATMENT OF PAIN BOEHRINGER INGELHEIM KG (DE) 1997-05-22 WO disclosed
EP-0665887-A1 HUMAN 5-HT 2? RECEPTOR SMITHKLINE BEECHAM PLC (GB) 1995-08-09 EP disclosed
EP-0641386-A1 HUMAN 5HT-1B RECEPTOR (SEROTONIN RECEPTOR), PROCESS FOR PREPARING THE SAME AND ITS USES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
WO-1995006117-A1 HUMAN 5-HT2 RECEPTOR SMITHKLINE BEECHAM PLC (GB) 1995-03-02 WO disclosed
WO-1993023535-A1 HUMAN 5HT-1B RECEPTOR (SEROTONIN RECEPTOR), PROCESS FOR PREPARING THE SAME AND ITS USES BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 WO disclosed
US-4839377-A TREATMENT OF MIGRAINE GLAXO GROUP LIMITED (GB) 1989-06-13 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-20170044216-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION MRPL21, CHLSN, MAX HTR7 4072/4885HTR1A 4519/4885HTR1D 4618/4885
US-20200040040-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION MRPL21, CHLSN, MAX HTR7 4072/4885HTR1A 4519/4885HTR1D 4618/4885
US-11897918-B2 Compositions and methods to increase production MRPL21, CHLSN, MAX HTR7 4072/4885HTR1A 4519/4885HTR1D 4618/4885

“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.