SCHEMBL4221663

SCHEMBL4221663

Cc1cc(Cl)ccc1-c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
GRM2 Q14416 1/20 0.44
MEN1 O00255 4/20 0.42
TSHR P16473 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
S100A4 P26447 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 3/20 0.41
ESR2 Q92731 2/20 0.41
NPC1 O15118 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
GPR3 P46089 1/20 0.40
CNR1 P21554 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39

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
SCHEMBL28003667 0.85 TRPV1 (0.47) KMT2AMEN1TSHRHSP90AA1HSP90AB1
SCHEMBL13176936 0.84 NPC1 (0.49) KMT2AGRM2MEN1TSHRS100A4
SCHEMBL30984364 0.84 NPC1 (0.49) KMT2AGRM2MEN1TSHRS100A4
SCHEMBL29719717 0.81 NOTUM (0.53) GRM2S100A4NOTUMCYP3A4
SCHEMBL29120292 0.80 ESR2 (0.62) KMT2AMEN1ESR2MAPTCYP1A2
SCHEMBL21177792 0.80 HSD17B10 (0.52) KMT2AMEN1TSHRHSP90AA1HSP90AB1
SCHEMBL1828915 0.80 TP53 (0.52) KMT2AMEN1TSHRMAOARAB9A
SCHEMBL29362536 0.80 TP53 (0.52) KMT2AMEN1TSHRMAOARAB9A
SCHEMBL17916235 0.79 HSP90AA1 (0.56) KMT2AMEN1TSHRHSP90AA1HSP90AB1
SCHEMBL6030716 0.79 ESR2 (0.52) KMT2AMEN1TSHRNOTUMESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 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 (3 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A KMT2A 2254/4885GRM2 222/4885MEN1 4338/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A KMT2A 2254/4885GRM2 222/4885MEN1 4338/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A KMT2A 506/4885GRM2 219/4885MEN1 3860/4885

“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.