SCHEMBL829355

SCHEMBL829355

COC1(OC)NCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
PNMT P11086 1/20 0.35
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.34
GID4 Q8IVV7 1/20 0.34

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
SCHEMBL31707305 1.00 MEN1 (0.42) MEN1HTR2AHTR2CSIGMAR1PNMT
SCHEMBL5708935 0.82 CD274 (0.43) MEN1HTR2AHTR2CPNMTCD44
SCHEMBL25267820 0.81 SIGMAR1 (0.37) SIGMAR1
SCHEMBL27648212 0.81 MEN1 (0.38) MEN1HTR2AHTR2CSIGMAR1KDM1A
SCHEMBL27416395 0.80 MEN1 (0.39) MEN1HTR2AHTR2CSIGMAR1PNMT
Hydrochloric Acid SCHEMBL27675000 0.79 ALDH1A1 (0.39) SIGMAR1
SCHEMBL29674239 0.75 HTR2A (0.43) HTR2AHTR2CPNMTCD44MAOB
SCHEMBL24710630 0.75 MAOB (0.43) MEN1HTR2AHTR2CPNMTCD44
SCHEMBL327743 0.75 HTR2A (0.43) HTR2AHTR2CPNMTCD44MAOB
SCHEMBL17114772 0.75 HTR2A (0.43) MEN1HTR2AHTR2CPNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176705-A1 MODULAR PLATFORM FOR TARGETED THERAPEUTIC DELIVERY WASHINGTON UNIVERSITY (US) 2009-07-09 US claimed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
US-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome NATIONAL TAIWAN UNIVERSITY (TW) 2022-11-22 US disclosed
CN-104672136-B 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof 沈阳药科大学 2017-01-25 CN disclosed
WO-2016174496-A1 P-GP RADIOTRACERS FOR IMAGING AS BIOMARKER INVOLVED IN ONSET OF NEURODEGENERATIVE DISEASES BIOFORDRUG S.R.L. (IT) 2016-11-03 WO disclosed
CN-103664804-B Pirodomast analogue, preparation method and application thereof ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2016-01-20 CN disclosed
CN-103664804-A Picotamide analogues as well as preparation method and application thereof ANHUI UNIVERSITY OF CHINESE MEDICINE 2014-03-26 CN disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
US-8143222-B2 Modular platform for targeted therapeutic delivery WASHINGTON UNIVERSITY (US) 2012-03-27 US disclosed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US disclosed
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 US disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
US-20050165004-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2005-07-28 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-1997023484-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1997-07-03 WO disclosed
EP-0382628-B1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1994-05-04 EP disclosed
EP-0351255-B1 Derivatives of 2-[(4-piperidinyl)methyl]-1,2,3,4-tetrahydroisoquinoline, their preparation and their use in therapy SYNTHELABO (FR) 1993-10-13 EP disclosed
EP-0382628-A1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them ELF SANOFI (FR) 1990-08-16 EP disclosed
EP-0351255-A2 Derivatives of 2-[(4-piperidinyl)methyl]-1,2,3,4-tetrahydroisoquinoline, their preparation and their use in therapy SYNTHELABO (FR) 1990-01-17 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 (6 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-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome HTR7, GPR27, HTR5A MEN1 4859/4885HTR2A 23/4885HTR2C 9/4885
US-20050165004-A1 Bronchorelaxing compounds GPR6, CHRM3, NR1H3 MEN1 1409/4885HTR2A 585/4885HTR2C 944/4885
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MEN1 3717/4885HTR2A 216/4885HTR2C 311/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 MEN1 2210/4885HTR2A 1155/4885HTR2C 1668/4885
US-20090176705-A1 MODULAR PLATFORM FOR TARGETED THERAPEUTIC DELIVERY SIGMAR1, TMEM97, CCAR2 MEN1 4666/4885HTR2A 59/4885HTR2C 237/4885
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 MEN1 1041/4885HTR2A 146/4885HTR2C 234/4885

“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.