SCHEMBL212928

SCHEMBL212928

COc1ccc(N)cc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.59
HTR2B P41595 3/20 0.59
SYK P43405 1/20 0.58
HTR2A P28223 2/20 0.54
AXL P30530 1/20 0.54
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
KIT P10721 1/20 0.50
ADORA2A P29274 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48

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
SCHEMBL2085669 0.95 SYK (0.58) HTR2CHTR2BSYKHTR2AAXL
SCHEMBL12448367 0.93 AXL (0.61) HTR2CHTR2BSYKHTR2AAXL
SCHEMBL3401693 0.91 HTR2C (0.55) HTR2CHTR2BSYKHTR2AAXL
SCHEMBL1667163 0.88 AXL (0.61) HTR2BSYKHTR2AAXLTSHR
SCHEMBL1929865 0.87 HTR2C (0.58) HTR2CHTR2BHTR2APOLBKDM4E
SCHEMBL4036285 0.87 KDM4E (0.60) SYKAXLTSHRCYP2D6KDM4E
SCHEMBL4023281 0.86 HTR2C (0.60) HTR2CHTR2BHTR2APOLBSMN1; SMN2
SCHEMBL5474831 0.86 HTR2C (0.60) HTR2CHTR2BHTR2APOLBSMN1; SMN2
SCHEMBL3213395 0.85 POLB (0.59) HTR2CHTR2BSYKHTR2ATSHR
SCHEMBL12409038 0.85 SYK (0.71) HTR2CHTR2BSYKHTR2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 EP disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 HTR2C 1528/4885HTR2B 2027/4885SYK 1956/4885

“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.