SCHEMBL1509217

SCHEMBL1509217

O=CNCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 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
SCHEMBL29202246 0.81 HTR2A (0.44) HTR2ACA1CA2TSHRHDAC3
SCHEMBL11859249 0.81 HTR2A (0.50) HTR2AADH1BADH1CADH1AADH7
SCHEMBL21896104 0.78 HTR2A (0.45) HTR2ACA1CA2TSHRHDAC3
SCHEMBL28617964 0.76 HTR2A (0.42) HTR2ACA1CA2TSHRHDAC3
SCHEMBL21896092 0.74 HTR2A (0.41) HTR2ACA1CA2HDAC3HDAC4
SCHEMBL28923189 0.73 HTR2A (0.48) HTR2ACA1CA2TSHRHDAC3
SCHEMBL29202249 0.73 HTR2A (0.40) HTR2ACA1CA2TSHRHDAC3
SCHEMBL73177 0.72 HTR2A (0.52) HTR2ACA1CA2TSHRHDAC3
SCHEMBL1509215 0.72 HTR2A (0.47) HTR2ACA1CA2TSHRHDAC3
SCHEMBL7503402 0.72 CA1 (0.49) HTR2ACA1CA2TSHRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111757866-A Direct oxidative amination of hydrocarbons 斯克利普斯研究所 2020-10-09 CN disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
EP-2681187-B1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM TAIWAN LTD (TW) 2018-04-11 EP disclosed
US-8722921-B2 Process for reduction of alpha-acyloxy sulfide derivatives SCINOPHARM SINGAPORE PTE, LTD. (SG) 2014-05-13 US disclosed
EP-2681187-A1 PROCESS FOR REDUCTION OF -ACYLOXY SULFIDE DERIVATIVES Scinopharm Taiwan Ltd. (TW) 2014-01-08 EP disclosed
WO-2012118441-A1 PROCESS FOR REDUCTION OF α-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM SINGAPORE PTE, LTD. (SG) 2012-09-07 WO disclosed
US-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM SINGAPORE PTE, LTD. (SG) 2012-08-30 US disclosed
US-8158796-B2 Process for the preparation of Rho-kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
EP-0763523-B1 NAPHTHALENE DERIVATIVE TEIJIN LTD (JP) 1999-10-13 EP disclosed
US-5945450-A ANTIALLERGENS TEIJIN LIMITED (JP) 1999-08-31 US disclosed
US-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US disclosed
EP-0763523-A1 NAPHTHALENE DERIVATIVE TEIJIN LIMITED (JP) 1997-03-19 EP disclosed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 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 (2 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-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA HTR2A 4780/4885ADH1B 3361/4885ADH1C 4058/4885
US-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SULT1A1, SQOR, SULT2A1 HTR2A 4149/4885ADH1B 276/4885ADH1C 378/4885

“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.