SCHEMBL5280641

SCHEMBL5280641

Fc1ccc(F)c(N2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
HTR7 P34969 4/20 0.51
HTR1A P08908 10/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 1/20 0.49
HTR6 P50406 3/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR3A P46098 3/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29893068 1.00 KDR (0.53) KDRHTR7HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2849637 0.98 KDR (0.51) KDRHTR7HTR1ASLC6A2SLC6A4
SCHEMBL29557426 0.85 KDR (0.53) KDRHTR7HTR1ASLC6A2SLC6A4
SCHEMBL233938 0.85 KDR (0.53) KDRHTR7HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29883289 0.83 KDR (0.51) KDRHTR7HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4331979 0.83 KDR (0.51) KDRHTR7HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5987897 0.83 KDR (0.51) KDRHTR7HTR1ASLC6A2SLC6A4
SCHEMBL6195611 0.83 HTR3A (0.61) HTR7HTR1ASLC6A4HTR6HTR2B
SCHEMBL5716060 0.82 ALDH1A1 (0.56) HTR1AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL23339696 0.81 ALDH1A1 (0.45) KDRHTR7HTR1AHTR6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-103896962-B One class thienopyridine esters derivative containing substituted piperazinyl and its production and use 天津药物研究院 2016-09-14 CN disclosed
WO-2014192865-A1 PHENYLPIPERAZINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 WO disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
CN-103896962-A Substituent piperazinyl-containing thienopyridine ester derivatives as well as preparation method and use thereof TIANJIN INST PHARM RESEARCH 2014-07-02 CN disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
EP-1622880-B1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 US disclosed
US-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-06-03 US disclosed
US-6706716-B2 NERVOUS SYSTEM DISORDERS; HYPOTENSIVE AGENTS; INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-16 US disclosed
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof H. LUNDBECK A/S (DK) 2002-03-07 US disclosed
EP-1100794-A1 COMPOUNDS SPECIFIC FOR THE HUMAN $g(a) 1d? ADRENERGIC RECEPTOR AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2001-05-23 EP disclosed
WO-2000004012-A9 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2000-10-26 WO disclosed
WO-2000004012-A1 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-01-27 WO 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-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 KDR 1247/4885HTR7 214/4885HTR1A 27/4885
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 KDR 3131/4885HTR7 135/4885HTR1A 41/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KDR 3655/4885HTR7 1643/4885HTR1A 1145/4885
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 KDR 725/4885HTR7 426/4885HTR1A 67/4885
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 KDR 1314/4885HTR7 1495/4885HTR1A 2489/4885

“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.