SCHEMBL4485252

SCHEMBL4485252

COC(=O)C(C)Cc1cccc(C(C)(C)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
HTR2C P28335 2/20 0.47
USP2 O75604 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
ADRA2C P18825 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
DRD3 P35462 2/20 0.45
CYP2C9 P11712 2/20 0.45
NR1I2 O75469 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA2B P18089 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL12440296 0.87 HTR2A (0.59) HTR2AHTR2BHTR2CUSP2CYP3A4
SCHEMBL14229832 0.84 HTR2A (0.50) HTR2AHTR2BHTR2CUSP2CYP3A4
SCHEMBL6028187 0.81 TAAR1 (0.54) HTR2AHTR2BHTR2CSLC6A4SLC6A2
SCHEMBL4488598 0.80 KLK5 (0.42) HTR2AHTR2BHTR2CUSP2CYP3A4
SCHEMBL28497181 0.80 SLC7A5 (0.47) CYP2C9ADRB1SLC7A5CYP2C19FOLH1
SCHEMBL28497180 0.80 SLC7A5 (0.47) CYP2C9ADRB1SLC7A5CYP2C19FOLH1
SCHEMBL5046404 0.80 LOXL2 (0.58) CYP2C9SLC7A5CYP2C19ALDH1A1THRB
SCHEMBL2496147 0.78 NLRP3 (0.50) CYP3A4CYP1A2CYP2C9OPRM1SLC7A5
SCHEMBL8802162 0.78 ALDH1A1 (0.47) CYP3A4CYP2C9SLC7A5CYP2C19MAPT
SCHEMBL2500604 0.78 NLRP3 (0.50) CYP3A4CYP1A2CYP2C9OPRM1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT HTR2A 808/4885HTR2B 1265/4885HTR2C 847/4885

“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.