SCHEMBL3333986

SCHEMBL3333986

Fc1ccccc1C1CCNC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
KDM1A O60341 1/20 0.47
HTR2C P28335 4/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL29698867 1.00 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL27880809 1.00 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
Hydrochloric Acid SCHEMBL3932246 0.98 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
Hydrochloric Acid SCHEMBL30467185 0.98 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2145272 0.89 HTR6 (0.45) HTR1ASLC6A2CHRNB2CHRNA4
SCHEMBL233327 0.88 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL30368779 0.88 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
Hydrochloric Acid SCHEMBL567764 0.87 HTR6 (0.44) HTR1ASLC6A2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL30010417 0.86 HTR2C (0.61) HTR1ASLC6A2SLC6A4SLC6A3KDM1A
Hydrochloric Acid SCHEMBL1765243 0.86 HTR2C (0.61) HTR1ASLC6A2SLC6A4SLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072850-A 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2019-07-30 CN disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 US disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 US disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 US disclosed
EP-3038466-A1 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2016-07-06 EP disclosed
WO-2015027431-A1 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-03-05 WO disclosed
WO-2015031221-A1 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-03-05 WO disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
CN-1150165-C 1-arylsulfonyl-2-aryl-pyrrolidine derivatives for the treatment of central nervous system disorders - 2004-05-19 CN disclosed
CN-1345311-A 1-arenesulfonyl-2-aryl-pyrolidine and piperidine derivatives for treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2002-04-17 CN disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 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 (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-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 HTR1A 3162/4885SLC6A2 3951/4885SLC6A4 2981/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 HTR1A 208/4885SLC6A2 505/4885SLC6A4 647/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 HTR1A 208/4885SLC6A2 505/4885SLC6A4 647/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 HTR1A 669/4885SLC6A2 3731/4885SLC6A4 4575/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 HTR1A 1527/4885SLC6A2 2890/4885SLC6A4 2321/4885

“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.