SCHEMBL3899192

SCHEMBL3899192

O=C(N1CCc2ccc(S(=O)(=O)Cl)cc2CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.53
ESR2 Q92731 6/20 0.53
PKM P14618 1/20 0.52
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA12 O43570 1/20 0.49
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNA1 Q09470 4/20 0.40
KCNAB1 Q14722 4/20 0.40
ABHD6 Q9BV23 3/20 0.39
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL490066 0.92 ESR1 (0.65) ESR1ESR2PKMCA1CA2
SCHEMBL30471045 0.92 ESR2 (0.65) ESR1ESR2PKMCA1CA2
SCHEMBL30408119 0.92 ESR1 (0.65) ESR1ESR2PKMCA1CA2
SCHEMBL6436222 0.92 ESR2 (0.65) ESR1ESR2PKMCA1CA2
SCHEMBL3893392 0.87 ESR1 (0.55) ESR1ESR2PKMCA1CA2
SCHEMBL7838175 0.84 ESR1 (0.55) ESR1ESR2PKMCA1CA2
SCHEMBL15399197 0.83 ESR1 (0.49) ESR1ESR2PKMCA1CA2
SCHEMBL4040738 0.81 NOTUM (0.47) CA1CA2CA7CA9NPC1
SCHEMBL4231312 0.81 ESR2 (0.68) ESR1ESR2PKMCA1CA2
SCHEMBL2993408 0.81 ESR1 (0.68) ESR1ESR2PKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
EP-1727801-B1 PIPERAZINES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2009-02-18 EP disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20070032500-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-08 US disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US disclosed
US-20050245507-A1 7-Phenylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-11-03 US disclosed
US-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
EP-1509504-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
EP-0822934-B1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RES & DEV (IE) 2000-02-09 EP disclosed
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 US disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0822934-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-02-11 EP disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 EP disclosed
WO-1996033993-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1996-10-31 WO disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 WO disclosed
US-4085225-A Oxime ethers having anti-depressive activity U.S. PHILIPS CORPORATION (US) 1978-04-18 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 (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-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia SIGMAR1, CBR3, CBR1 ESR1 312/4885ESR2 324/4885PKM 3039/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR1 45/4885ESR2 54/4885PKM 3035/4885
US-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders MPL, HTR2B, PDGFRB ESR1 2089/4885ESR2 1480/4885PKM 3595/4885
US-20070032500-A1 Therapeutic agents useful for treating pain TRPV1, OPRL1, CNR2 ESR1 1646/4885ESR2 594/4885PKM 2979/4885
US-20050245507-A1 7-Phenylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents HTR3C, SIGMAR1, CHRM1 ESR1 546/4885ESR2 1024/4885PKM 1360/4885

“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.