SCHEMBL5550987

SCHEMBL5550987

OC1(O)NCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOB P27338 2/20 0.39
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
KDM1A O60341 1/20 0.36

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
Bromide SCHEMBL4739389 0.98 HTR2A (0.42) HTR2AHTR2CCHRM2CHRM4CHRM5
SCHEMBL5179163 0.78 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28312964 0.76 TDP1 (0.40) HTR2AHTR2CMEN1
SCHEMBL29674239 0.75 HTR2A (0.43) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL22541598 0.75 HTR2A (0.47) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL24710630 0.75 MAOB (0.43) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL327743 0.75 HTR2A (0.43) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL11488652 0.75 HTR2A (0.43) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL29674233 0.75 HTR2A (0.47) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL17114772 0.75 HTR2A (0.43) HTR2AHTR2CMAOBPNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US claimed
CN-105372367-B A kind of detection method of lamb's-quarters beans extract 苏州大学 2017-06-06 CN disclosed
CN-1549716-B 3-substituted 6, 7-dihydroxytetrahydroisoquinoline derivatives for use in antibacterial agents ARPIDA AG 2010-05-26 CN disclosed
EP-1045837-B1 MONOMERIC AND DIMERIC ARYLISOQUINOLINE ALKALOIDS AND DERIVATIVES THEREOF US GOV HEALTH & HUMAN SERV (US) 2007-03-14 EP disclosed
CN-1549716-A 3-substituted 6, 7-dihydroxytetrahydroisoquinoline derivatives for use in antibacterial agents ��Ƥ�¹ɷ����޹�˾ 2004-11-24 CN disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
US-6331630-B1 Dimeric arylisoquinoline alkaloids and derivatives thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-18 US disclosed
US-6140339-A Monomeric and dimeric arylisoquinoline alkaloids and derivatives thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-31 US disclosed
EP-1045837-A1 MONOMERIC AND DIMERIC ARYLISOQUINOLINE ALKALOIDS AND DERIVATIVES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-25 EP disclosed
WO-1999033811-A1 MONOMERIC AND DIMERIC ARYLISOQUINOLINE ALKALOIDS AND DERIVATIVES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, R EPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-07-08 WO disclosed
EP-0210828-A2 Tetrahydroisoquinoline derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 1987-02-04 EP 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 (1 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR HTR2A 855/4885HTR2C 1349/4885CHRM2 753/4885

“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.